data_2ike_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 2ike _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.0 tp . . . . . 0 N--CA 1.456 -0.172 0 CA-C-O 120.893 0.378 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.59 126.59 38.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.976 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 15.2 t -124.95 158.74 32.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.034 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.1 mp -107.39 123.35 48.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.783 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.435 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 11.7 p -60.8 169.27 2.01 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.832 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.435 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 53.4 Cg_exo -52.86 -27.36 34.53 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.389 2.059 . . . . 0.0 111.881 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.96 7.16 46.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.095 179.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 19.0 m-20 72.72 37.64 0.83 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.864 0.364 . . . . 0.0 110.94 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.0 tptt -99.7 138.28 20.37 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.461 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_exo -51.53 126.5 19.69 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.425 2.083 . . . . 0.0 112.469 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -147.9 -166.21 12.51 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.179 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.46 151.02 51.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.784 0.326 . . . . 0.0 110.933 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 44.7 t -109.9 125.94 53.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.83 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 15.2 m -135.63 157.35 39.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.172 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -52.06 -177.35 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.304 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -99.07 35.1 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.278 0.561 . . . . 0.0 111.175 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.3 pttm -154.23 46.7 0.59 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.434 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -164.02 -43.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.376 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 8.6 t -57.43 130.68 47.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.824 0.345 . . . . 0.0 110.877 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 72.4 p -58.39 -34.54 70.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.069 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.416 ' CE1' HD13 ' A' ' 95' ' ' ILE . 63.1 t-80 -59.58 -36.59 76.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.907 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -70.15 -38.82 75.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.715 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.09 -32.99 74.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.049 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -69.69 -39.12 77.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.416 HD13 ' CE1' ' A' ' 91' ' ' HIS . 14.2 mt -70.69 -37.36 68.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.015 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -70.2 -30.92 68.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.812 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -83.33 -33.72 25.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.019 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.34 161.55 24.92 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.979 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.02 162.06 4.35 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.488 2.125 . . . . 0.0 112.271 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 16.0 tt -113.18 151.34 15.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.989 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -151.88 175.39 30.66 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.459 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -66.82 -34.18 77.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.878 0.37 . . . . 0.0 110.987 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -70.01 -33.06 71.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -74.8 -32.05 61.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.9 m -73.49 -33.37 64.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.1 m -72.87 -38.55 66.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -72.2 -34.19 68.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.652 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 9.7 tt -72.1 -34.95 69.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.27 -30.61 67.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 17.5 m-20 -78.68 -26.64 44.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.934 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.3 p -97.24 38.47 1.25 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.863 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 17.6 t -101.49 159.73 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.18 58.16 2.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.225 -179.971 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 . . . . . 0 N--CA 1.461 0.087 0 CA-C-O 120.791 0.329 . . . . 0.0 111.333 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -143.85 158.87 43.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.069 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 12.1 t -139.14 163.05 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.758 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 16.4 m -111.62 123.92 51.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.887 0.375 . . . . 0.0 110.691 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 10.3 m -119.21 118.86 32.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.82 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.412 -1.216 . . . . 0.0 112.552 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.839 0.352 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.9 128.51 33.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.966 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 19.7 p -124.87 159.34 31.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.035 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -101.82 122.91 44.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.485 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 72.6 p -65.6 168.19 9.06 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.485 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.485 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 76.1 Cg_exo -51.56 -27.64 26.0 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.207 1.938 . . . . 0.0 112.087 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.44 7.17 44.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.104 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 68.14 38.73 2.58 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.848 0.356 . . . . 0.0 111.118 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.43 128.58 32.65 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.406 179.45 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.18 121.99 10.84 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.321 2.014 . . . . 0.0 112.404 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -148.2 -158.3 7.9 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.447 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.1 mtpm? -133.39 146.09 50.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.688 0.28 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 48.5 t -109.92 125.92 53.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.962 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 15.6 m -127.54 156.07 39.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.077 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -56.45 -175.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 16.5 mm -87.8 51.84 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.143 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.2 ptmt -171.42 35.62 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.9 tttt -151.36 -44.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.083 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -50.26 137.89 17.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.9 m -58.55 -29.98 66.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.844 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -60.78 -32.15 71.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.443 ' HA ' HG23 ' A' ' 95' ' ' ILE . 3.7 mm? -65.7 -44.16 86.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.929 0.395 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.53 -35.02 79.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.018 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -71.02 -41.9 70.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.054 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.443 HG23 ' HA ' ' A' ' 92' ' ' LEU . 2.2 tp -68.73 -34.83 66.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.012 0.434 . . . . 0.0 110.519 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -62.55 -32.0 72.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.489 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -72.42 -9.88 59.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.295 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 t70 70.02 66.32 0.45 Allowed Pre-proline 0 C--O 1.232 0.156 0 CA-C-O 120.792 0.33 . . . . 0.0 110.836 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -89.26 -167.73 0.29 Allowed 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 123.004 2.469 . . . . 0.0 112.527 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.9 tt -129.46 144.19 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.784 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 133.48 106.65 0.97 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.462 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -67.07 -30.99 71.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.856 0.36 . . . . 0.0 111.059 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -59.73 -30.92 69.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -71.07 -36.65 72.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.68 -36.46 67.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.814 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.6 m -71.56 -33.89 69.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.688 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -68.5 -34.43 75.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.7 mt -68.75 -39.82 80.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -30.77 67.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.907 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -82.78 -28.73 30.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.052 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.36 37.81 1.32 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.99 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.1 p -92.59 131.38 39.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.166 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.2 m -71.42 63.73 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.81 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.052 -179.88 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 24.8 m-20 . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.873 0.368 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 70.0 m -159.23 143.19 15.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 79.7 t -130.1 157.88 42.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 1.3 m -111.89 128.9 56.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.991 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 5.5 m -126.31 118.98 26.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.757 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.436 -1.202 . . . . 0.0 112.496 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.764 0.316 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.34 130.4 34.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.711 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 22.3 t -124.95 158.09 34.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.082 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -105.89 125.62 51.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.866 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.481 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 31.0 p -62.42 168.38 4.19 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.688 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.481 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 72.6 Cg_exo -51.81 -24.99 19.79 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.367 2.045 . . . . 0.0 112.082 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.48 9.97 41.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 21.2 m-20 69.71 38.14 1.74 Allowed 'General case' 0 C--N 1.334 -0.103 0 CA-C-O 120.819 0.342 . . . . 0.0 111.013 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.16 133.39 22.14 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.508 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -51.76 125.82 18.07 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.342 2.028 . . . . 0.0 112.448 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -147.32 -162.19 9.85 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.884 -0.675 . . . . 0.0 112.327 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -134.0 152.0 51.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.885 0.374 . . . . 0.0 110.996 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 50.6 t -109.85 125.92 53.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.825 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 18.2 m -140.11 157.05 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.073 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -51.75 178.57 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.302 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.4 pp -85.5 3.51 3.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.495 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.3 ptmt -126.15 22.44 7.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.068 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.26 -37.7 2.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.772 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 2.6 t -73.34 126.14 29.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.793 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.9 t -60.44 -33.88 73.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.048 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -61.36 -38.85 88.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.897 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.28 -40.32 81.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.778 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.07 -32.46 74.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.59 -38.09 77.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.894 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 11.3 mt -70.51 -37.19 69.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.021 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -70.14 -30.93 68.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.956 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -75.16 -32.16 61.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.011 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -123.52 104.92 33.67 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.941 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.18 62.23 2.59 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.475 2.117 . . . . 0.0 112.286 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.8 pp -148.12 173.86 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.075 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 79.69 81.05 0.77 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.82 -31.67 72.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.834 0.349 . . . . 0.0 110.949 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -72.11 -27.93 62.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.044 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -73.5 -40.43 64.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.032 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.421 HG21 ' N ' ' A' ' 106' ' ' THR . 12.8 t -72.12 -29.98 64.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.421 ' N ' HG21 ' A' ' 105' ' ' THR . 34.9 m -76.02 -35.68 59.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.77 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -69.94 -33.86 72.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.611 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 10.8 tp -66.17 -38.85 89.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.405 ' HA ' ' CG1' ' A' ' 112' ' ' VAL . 0.0 OUTLIER -71.02 -31.03 67.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 179.835 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -75.37 -29.19 59.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.748 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.1 t -103.3 41.85 1.22 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.68 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.405 ' CG1' ' HA ' ' A' ' 109' ' ' LYS . 28.1 m -89.86 146.0 6.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.72 62.54 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.895 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.091 179.961 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 9.0 m120 . . . . . 0 N--CA 1.462 0.135 0 CA-C-O 120.678 0.275 . . . . 0.0 111.378 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 69.7 m -135.68 160.92 37.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.858 0.361 . . . . 0.0 111.186 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 13.4 t -131.66 161.58 40.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.937 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 78.4 m -111.7 123.87 51.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.794 0.33 . . . . 0.0 111.13 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 75.7 m -122.35 118.85 29.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.763 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.389 -1.228 . . . . 0.0 112.516 -179.986 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.6 tp . . . . . 0 C--O 1.227 -0.105 0 CA-C-O 120.779 0.323 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.93 123.23 32.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.733 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 19.8 p -125.0 152.95 43.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.087 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.87 122.83 36.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.835 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.472 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 2.2 p -67.62 164.93 34.47 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.736 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.472 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 9.6 Cg_endo -51.06 -25.68 17.16 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.528 2.152 . . . . 0.0 111.918 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.94 9.21 41.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.109 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.3 m120 64.7 43.38 4.23 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.919 0.39 . . . . 0.0 111.215 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -106.34 118.75 53.94 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.273 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_exo -49.59 121.69 7.6 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.292 1.995 . . . . 0.0 112.347 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -147.64 -156.28 6.94 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.445 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -133.99 150.62 51.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.829 0.347 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 39.5 t -109.89 125.99 53.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.616 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 5.7 m -141.58 157.16 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.959 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -54.32 176.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.189 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -80.48 -1.67 4.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.541 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.6 mttm -109.69 22.1 16.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.887 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.6 tttm -136.57 -39.13 0.65 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.781 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -57.21 116.83 3.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.59 -31.75 72.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.933 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 41.4 m-70 -59.8 -35.83 75.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.79 -40.33 83.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.798 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.09 -33.53 76.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.093 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -66.78 -40.81 88.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 27.0 mt -67.61 -34.91 71.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.994 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -67.79 -32.9 73.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.82 -32.52 21.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.96 160.13 61.34 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.8 -172.09 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.644 2.229 . . . . 0.0 112.273 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.6 pt -87.37 -179.48 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 158.43 130.57 1.19 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.507 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -30.76 69.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.82 0.343 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.407 ' O ' HG22 ' A' ' 106' ' ' THR . 1.4 m-20 -63.68 -28.62 70.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -75.16 -34.6 61.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.765 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 57.7 m -74.1 -35.75 64.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.407 HG22 ' O ' ' A' ' 103' ' ' ASP . 4.8 t -72.35 -33.9 67.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.709 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -69.42 -34.12 73.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 38.0 tp -71.9 -38.1 70.0 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.403 ' HA ' ' CG1' ' A' ' 112' ' ' VAL . 9.7 mttt -71.06 -29.28 65.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.005 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -76.07 -29.86 58.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.9 m -105.29 42.2 1.26 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.937 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.403 ' CG1' ' HA ' ' A' ' 109' ' ' LYS . 28.1 m -87.67 131.56 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.201 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.98 36.87 1.36 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.875 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.205 179.924 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.917 0.389 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.1 m -123.09 134.23 54.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.819 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 11.8 t -140.48 161.89 24.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.065 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 1.5 m -111.76 124.22 51.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.856 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 18.3 m -129.3 118.98 23.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.817 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.398 -1.223 . . . . 0.0 112.45 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.69 0.281 . . . . 0.0 110.786 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.45 126.4 40.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.861 0.362 . . . . 0.0 110.797 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 17.6 p -134.3 166.02 23.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.081 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.5 mp -98.57 123.54 42.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.806 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.502 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 26.9 p -65.99 167.68 11.17 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.614 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.502 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 76.4 Cg_exo -50.92 -25.61 16.28 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.319 2.013 . . . . 0.0 112.096 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.93 7.82 43.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.104 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 65.22 39.34 5.47 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.9 0.381 . . . . 0.0 111.178 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -107.18 134.78 19.77 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.301 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -50.89 125.46 16.07 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.327 2.018 . . . . 0.0 112.485 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -153.49 -159.45 9.13 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.543 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.9 pttm -133.72 152.32 51.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.69 0.281 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 35.2 t -109.77 128.23 55.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.653 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.4 m -134.25 157.22 41.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.932 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -53.77 -175.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.082 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.45 HD11 HG23 ' A' ' 86' ' ' ILE . 0.3 OUTLIER -96.04 23.84 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 -179.857 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -150.49 29.38 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.816 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -131.29 -44.16 1.03 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.8 t -66.7 135.53 54.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.981 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 49.9 p -68.27 -29.93 68.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 44.1 m170 -56.65 -41.57 77.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.726 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.67 -40.75 93.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.799 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.03 -34.44 78.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.938 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.76 -43.71 79.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 34.2 mm -66.33 -34.94 73.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.868 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.23 -31.2 71.87 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.844 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.95 -31.27 45.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -139.97 60.79 16.1 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.39 93.73 0.67 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.519 2.146 . . . . 0.0 112.355 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.6 pp -147.2 171.56 3.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 76.69 112.06 0.14 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.548 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -60.4 -32.27 71.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.793 0.33 . . . . 0.0 110.802 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -63.04 -32.57 73.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.16 -33.57 70.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.17 -36.15 71.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.0 m -69.17 -33.96 74.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -69.97 -34.03 72.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.8 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.11 -35.89 76.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 5.0 mttm -71.0 -30.49 66.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -82.35 -29.36 31.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.3 t -97.3 38.54 1.25 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 14.4 p -100.97 142.0 16.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.05 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.8 m -95.07 38.71 1.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.05 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.086 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.774 0.321 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.17 143.82 27.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.536 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 15.5 t -146.2 161.9 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.119 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 1.2 m -111.64 123.88 51.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.637 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 32.7 m -116.83 119.22 34.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.906 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.394 -1.225 . . . . 0.0 112.497 -179.938 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.403 ' O ' ' HA ' ' A' ' 82' ' ' LYS . 9.3 mp . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.627 0.251 . . . . 0.0 110.58 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.53 121.72 40.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.948 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.407 ' HB3' ' HB2' ' A' ' 83' ' ' CYS . 25.8 p -124.92 157.95 34.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.909 0.385 . . . . 0.0 111.545 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.0 mp -109.02 122.8 48.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.745 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.433 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 3.5 p -74.11 172.83 7.58 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.655 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.433 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 53.4 Cg_exo -52.82 -30.76 48.66 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.297 1.998 . . . . 0.0 111.728 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.87 -7.65 58.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.86 179.368 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.2 m120 70.78 38.88 1.15 Allowed 'General case' 0 C--O 1.231 0.108 0 CA-C-O 121.049 0.452 . . . . 0.0 110.946 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.0 pttt -104.7 108.5 61.03 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.841 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -43.52 124.57 4.29 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.51 2.14 . . . . 0.0 112.853 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -142.72 -146.19 4.57 Favored Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.921 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 1.7 mttp -134.16 148.92 51.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.767 0.318 . . . . 0.0 111.132 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.407 ' HB2' ' HB3' ' A' ' 73' ' ' CYS . 14.7 t -109.72 130.09 55.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.018 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 21.3 m -141.42 157.07 21.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.93 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 -54.99 -175.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.053 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.4 pp -90.93 10.76 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.34 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -135.6 27.2 3.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.0 tttm -125.88 -43.79 1.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -68.69 115.49 8.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.6 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 43.6 p -56.88 -30.6 64.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.205 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -61.15 -35.44 77.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.832 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.5 tt -70.49 -42.33 71.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.677 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.18 -30.81 71.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.075 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -70.28 -40.53 74.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.978 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 11.8 mt -68.11 -34.87 69.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -68.45 -34.49 76.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.022 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -85.96 -34.94 20.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.065 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -88.56 163.02 37.48 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.854 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -50.51 125.78 16.27 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.557 2.172 . . . . 0.0 112.371 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.3 tt -108.94 157.08 9.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.017 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -146.51 -176.45 20.33 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.451 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -66.02 -32.96 74.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.761 0.315 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -70.64 -32.03 69.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -71.25 -33.55 69.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.0 m -70.46 -36.02 73.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.9 m -72.11 -33.87 68.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.773 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -69.71 -33.99 73.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.744 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.5 -42.5 78.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.828 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.405 ' HA ' ' CG1' ' A' ' 112' ' ' VAL . 11.5 mtpp -70.98 -31.13 67.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.752 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.55 -31.7 63.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.7 m -97.6 38.3 1.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.798 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.405 ' CG1' ' HA ' ' A' ' 109' ' ' LYS . 35.7 m -89.08 175.59 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.211 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -95.35 28.02 3.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.177 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.459 179.846 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.87 0.367 . . . . 0.0 110.81 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.1 m -109.81 172.18 7.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.783 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 17.7 t -142.86 159.89 18.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.173 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 42.7 t -111.65 123.77 50.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.637 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 84.5 m -118.35 120.15 36.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.354 -1.248 . . . . 0.0 112.492 -179.965 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 17.8 tp . . . . . 0 C--O 1.229 0.014 0 CA-C-O 120.743 0.306 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.24 130.55 34.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.68 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 36.8 t -124.73 156.32 37.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.304 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -116.22 122.86 46.25 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.873 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.513 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 61.9 p -72.38 169.59 16.23 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.377 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.513 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 75.3 Cg_exo -50.93 -27.36 20.7 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.217 1.945 . . . . 0.0 112.033 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.56 6.25 44.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.073 179.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.2 m120 70.66 31.39 2.82 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.344 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -82.69 128.26 67.01 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.902 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -78.92 107.97 2.33 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.37 2.046 . . . . 0.0 113.112 -179.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.471 ' HA3' ' HA3' ' A' ' 124' ' ' GLY . . . -130.03 -144.94 5.69 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.668 -0.697 . . . . 0.0 112.257 179.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.57 152.46 51.8 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.767 0.318 . . . . 0.0 110.917 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 17.2 t -109.56 125.66 52.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.387 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 25.3 m -137.56 157.32 33.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.977 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -56.23 -166.31 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.997 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.404 ' HA ' ' CD2' ' A' ' 92' ' ' LEU . 1.7 pt -97.17 36.11 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.364 0.602 . . . . 0.0 111.158 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.2 pttt -155.16 47.94 0.54 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.02 -46.25 0.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.184 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 2.6 t -65.37 132.96 50.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.051 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.6 m -71.02 -30.0 66.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.955 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -56.31 -34.58 66.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.404 ' CD2' ' HA ' ' A' ' 86' ' ' ILE . 8.1 mp -67.8 -40.33 83.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.754 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.95 -32.5 74.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.898 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -66.24 -42.93 87.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 31.9 mm -68.41 -37.42 77.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.958 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -70.04 -30.94 68.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.937 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -70.61 -30.88 67.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.967 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -145.78 105.35 4.24 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.941 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -68.43 -166.06 0.14 Allowed 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.449 2.099 . . . . 0.0 112.242 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.2 mm 70.5 157.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.168 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 108.2 96.89 2.47 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.457 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.0 -33.08 70.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.814 0.34 . . . . 0.0 110.972 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -71.99 -31.07 65.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -72.28 -40.81 67.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.22 -35.21 71.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.705 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 25.0 m -71.34 -34.05 70.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.663 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -66.82 -35.08 79.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.831 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 8.6 mt -72.11 -39.5 68.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.824 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.8 tmtp? -71.06 -33.41 70.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.943 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -81.56 -28.52 33.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 73.9 m -97.13 37.91 1.29 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 11.3 p -90.18 135.73 25.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.006 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.05 29.36 2.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.066 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.224 -179.919 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.803 0.335 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.6 m -100.88 138.95 37.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.789 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 28.3 t -128.8 159.23 40.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.095 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 42.4 t -111.84 133.11 54.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.616 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 55.8 m -134.08 118.85 18.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.75 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . 0.471 ' HA3' ' HA3' ' A' ' 81' ' ' GLY . . . . . . . . 0 C--O 1.246 0.901 0 CA-C-O 118.175 -1.347 . . . . 0.0 112.6 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.228 -0.035 0 CA-C-O 120.807 0.337 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.23 123.24 36.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.497 179.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 41.8 t -124.79 148.9 47.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.3 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.9 mp -99.38 122.84 43.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.805 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.496 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 34.0 p -61.9 168.31 3.76 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.504 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.496 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 76.1 Cg_exo -50.88 -24.58 13.94 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.272 1.981 . . . . 0.0 112.275 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.39 6.21 49.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.313 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 70.1 35.56 2.13 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.802 0.334 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.68 118.81 65.86 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.415 179.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_exo -50.44 123.6 11.57 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.346 2.031 . . . . 0.0 112.576 -179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -147.7 -152.4 5.66 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.164 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.6 mttp -133.99 152.08 51.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.77 0.319 . . . . 0.0 110.956 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 52.7 t -109.95 125.95 53.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.836 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 31.6 m -137.65 157.09 33.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.754 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -51.61 177.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.195 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.1 pp -85.5 5.08 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.624 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.8 24.21 5.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.24 -40.76 2.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.934 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 7.8 t -67.36 128.35 36.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.832 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.02 -33.78 75.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.068 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -59.32 -48.88 79.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.948 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.56 -39.88 85.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.739 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.08 -32.33 73.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.154 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -69.66 -37.65 76.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.823 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 28.6 mm -66.9 -42.0 88.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.074 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -70.11 -35.46 74.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.46 -31.8 71.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.945 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.04 70.71 12.13 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.2 87.41 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.623 2.216 . . . . 0.0 112.231 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.4 mt -137.82 139.27 43.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.169 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.54 99.53 0.79 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.525 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -66.28 -31.14 71.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.766 0.317 . . . . 0.0 110.873 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -69.58 -34.63 74.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.962 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -73.58 -34.56 65.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.748 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 23.3 m -72.75 -31.42 64.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.728 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 26.0 m -70.53 -35.94 73.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.816 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.34 -40.58 89.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.69 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.82 -42.23 95.14 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.687 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -69.1 -31.21 69.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.476 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -67.49 -29.08 68.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.661 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.6 m -94.97 36.93 1.17 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.82 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 11.9 p -81.81 139.12 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.18 62.95 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.831 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.209 -179.966 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 21.4 m-20 . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.825 0.345 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.5 p -126.19 161.05 28.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.991 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 18.4 t -144.27 160.14 15.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.967 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 84.2 m -111.85 124.02 51.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.948 0.404 . . . . 0.0 110.728 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 74.8 m -127.29 124.9 39.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.843 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.521 -179.986 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.2 tt . . . . . 0 N--CA 1.456 -0.135 0 CA-C-O 120.735 0.302 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.94 124.67 47.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 26.8 p -129.02 163.61 25.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.143 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -97.4 122.84 40.9 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.945 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.437 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 0.7 OUTLIER -69.88 168.01 20.51 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.563 179.863 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.437 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 8.7 Cg_endo -50.58 -25.36 14.49 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.484 2.123 . . . . 0.0 112.055 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.63 4.77 53.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.318 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 67.57 37.28 3.42 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.929 0.395 . . . . 0.0 111.145 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 43.8 mttt -106.97 136.89 19.4 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.433 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.48 117.73 4.13 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.33 2.02 . . . . 0.0 112.334 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -136.01 -154.77 6.98 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.266 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.7 mtmp? -134.13 147.78 50.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.954 0.406 . . . . 0.0 111.109 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 12.5 t -109.8 126.73 54.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.762 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 28.9 m -142.13 157.18 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -51.1 177.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.262 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.1 pp -80.24 -1.73 4.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.626 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -112.61 23.4 13.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.34 -39.5 0.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.977 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.33 128.83 35.97 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.869 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.1 p -71.2 -42.1 69.41 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.077 -0.511 . . . . 0.0 112.164 -179.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 4.1 p-80 -55.96 -33.79 65.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.867 0.365 . . . . 0.0 111.098 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.59 -42.14 82.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.791 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.2 -29.97 70.83 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.126 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.1 -43.4 67.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.428 HG22 ' N ' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -67.36 -34.55 69.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.754 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.428 ' N ' HG22 ' A' ' 95' ' ' ILE . 0.3 OUTLIER -66.35 -31.93 73.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.711 179.827 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -86.02 -31.89 21.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -92.67 162.51 29.11 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.23 -173.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.638 2.226 . . . . 0.0 112.365 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.2 pt -93.3 179.71 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 173.48 138.31 2.61 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.393 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.56 -32.89 71.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.788 0.328 . . . . 0.0 110.795 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.19 -31.35 72.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -68.02 -35.64 78.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.6 -35.5 65.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -73.04 -33.97 66.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.735 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -70.17 -33.94 72.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.844 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.47 -37.82 80.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.795 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 5.2 mttm -71.03 -30.59 66.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.806 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -83.43 -28.44 28.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.1 m -97.1 37.49 1.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 13.4 p -101.04 147.66 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.966 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 76.2 m -96.99 36.71 1.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.987 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.248 179.901 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.233 0.196 0 CA-C-O 120.881 0.372 . . . . 0.0 110.761 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 60.7 p -144.74 146.6 32.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 10.5 t -128.01 162.5 33.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 34.9 t -111.69 123.66 50.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.93 0.395 . . . . 0.0 110.744 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 2.0 m -122.56 119.37 30.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.151 0 CA-C-O 118.342 -1.255 . . . . 0.0 112.564 -179.909 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.228 -0.031 0 CA-C-O 120.77 0.319 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.91 124.04 28.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.824 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 17.6 p -124.9 160.08 29.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.976 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -94.03 125.04 38.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.451 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 18.0 p -61.3 168.77 2.72 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.744 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.451 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 58.5 Cg_exo -52.46 -25.97 26.79 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.393 2.062 . . . . 0.0 112.09 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.88 8.11 45.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.095 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.0 m120 70.95 41.28 0.84 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.838 0.351 . . . . 0.0 110.962 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.2 tttm -106.98 138.75 19.9 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.595 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.17 125.38 18.19 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.328 2.019 . . . . 0.0 112.279 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -153.37 -163.15 11.54 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.35 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.7 mttp -133.79 152.54 51.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.668 0.271 . . . . 0.0 110.72 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 50.1 t -109.36 125.84 52.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.53 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.454 ' HB ' ' HD3' ' A' ' 88' ' ' LYS . 2.7 m -138.45 157.33 30.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.27 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.86 -176.9 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.089 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.2 pp -98.7 7.55 8.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.589 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.51 31.97 4.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.594 -179.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.454 ' HD3' ' HB ' ' A' ' 84' ' ' VAL . 0.8 OUTLIER -145.02 -35.1 0.33 Allowed 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.813 179.667 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . 0.435 ' N ' ' HG3' ' A' ' 88' ' ' LYS . 7.6 t -72.02 134.29 45.79 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.841 0.353 . . . . 0.0 110.746 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.41 -33.56 69.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.144 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -59.12 -36.16 74.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.004 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.15 -39.01 79.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.784 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.97 -33.13 75.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.112 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -69.47 -39.02 77.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 11.4 mt -66.91 -34.93 73.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.048 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -69.33 -32.16 71.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -70.41 -30.92 67.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -103.79 93.97 5.8 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.37 156.71 63.56 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.428 2.085 . . . . 0.0 112.267 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.5 mt 61.95 154.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.051 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 121.68 99.31 1.58 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.541 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.1 -23.99 65.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.777 0.322 . . . . 0.0 111.121 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -60.21 -45.86 91.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.261 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -64.95 -31.88 73.33 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.961 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.6 m -71.72 -29.81 64.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 19.8 m -75.61 -33.79 60.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.55 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -70.08 -39.93 75.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.299 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.7 pp -70.52 -34.79 72.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.758 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -30.29 69.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.855 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -77.22 -33.47 56.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.928 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 34.2 t -106.95 43.04 1.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.977 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.4 p -98.79 130.91 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -75.26 63.2 1.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.039 0.447 . . . . 0.0 110.749 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.135 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 8.7 m120 . . . . . 0 C--O 1.23 0.03 0 CA-C-O 120.89 0.376 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 18.2 p -151.67 146.2 25.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.955 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 35.2 t -130.34 160.72 41.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.709 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 1.3 m -111.7 123.81 51.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.994 0.426 . . . . 0.0 110.932 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 55.4 m -119.01 118.93 32.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.597 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.409 -1.217 . . . . 0.0 112.535 -179.851 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.843 0.354 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.41 130.81 34.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.645 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 10.7 t -126.18 151.1 47.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.027 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.3 mp -100.96 123.71 45.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.775 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.541 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 70.0 p -60.77 162.53 11.76 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.467 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.541 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 7.3 Cg_endo -49.45 -25.04 9.8 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.447 2.098 . . . . 0.0 112.174 179.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.71 9.34 43.55 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.391 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 22.9 m-20 70.37 46.8 0.56 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.881 0.372 . . . . 0.0 111.3 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.2 127.99 26.25 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.224 179.44 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -47.94 127.06 14.03 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.43 2.087 . . . . 0.0 112.573 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -151.92 -162.44 10.82 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.433 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.14 152.08 51.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.877 0.37 . . . . 0.0 110.858 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 52.4 t -113.36 125.86 54.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 20.0 m -142.14 157.03 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -57.8 -174.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.789 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -91.36 49.75 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.974 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.0 mttm -166.18 32.1 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.778 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.52 -47.22 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.886 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 4.1 t -60.11 124.11 19.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.982 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 47.8 p -58.5 -33.19 69.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.007 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -66.58 -43.85 83.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.8 mp -61.38 -38.89 88.66 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.863 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.99 -33.39 75.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.049 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -67.92 -42.89 80.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 39.2 mm -66.47 -34.95 73.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.969 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.2 -33.54 75.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.822 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -81.99 -32.13 30.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.79 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.71 170.39 8.14 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.803 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -50.18 157.59 2.9 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.641 2.227 . . . . 0.0 112.32 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 28.6 mm -112.88 155.4 14.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -155.37 161.23 30.37 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.57 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -59.88 -30.91 69.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.876 0.369 . . . . 0.0 110.953 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.16 -33.66 76.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -73.04 -33.79 65.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.6 m -70.81 -31.84 68.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.776 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.6 m -72.45 -34.54 67.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.37 -34.68 76.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 4.6 tt -71.07 -34.98 71.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.52 -32.2 71.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.887 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -77.77 -28.4 50.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.4 p -102.86 41.49 1.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.2 p -95.93 136.15 27.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 8.9 m -94.0 24.77 4.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.2 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.205 0 CA-C-O 120.817 0.342 . . . . 0.0 111.08 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 . . . . . 0 N--CA 1.462 0.147 0 CA-C-O 120.834 0.349 . . . . 0.0 111.582 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.96 162.66 13.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.672 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 20.0 t -144.13 157.35 15.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.328 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 44.4 t -111.86 129.72 56.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.725 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 26.9 m -130.78 119.08 21.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.321 -1.266 . . . . 0.0 112.53 179.926 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.761 0.315 . . . . 0.0 110.623 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.37 125.42 32.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.954 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 30.0 p -124.95 148.07 48.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.822 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.6 mp -93.82 123.05 36.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.439 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 7.2 p -67.38 167.2 16.22 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.828 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.439 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 67.5 Cg_exo -51.54 -25.43 19.43 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.389 2.059 . . . . 0.0 112.077 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.42 9.96 39.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.181 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 66.38 39.41 4.0 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.908 0.385 . . . . 0.0 110.933 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.6 ttmt -99.74 132.05 23.65 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.334 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -58.9 121.27 9.67 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.368 2.046 . . . . 0.0 112.349 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -147.4 -162.32 9.94 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.465 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.93 146.55 52.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.785 0.326 . . . . 0.0 110.816 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 18.7 t -109.79 125.99 53.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.733 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 6.1 m -139.31 155.33 25.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.979 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -55.53 170.15 0.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.5 ' CD1' ' O ' ' A' ' 86' ' ' ILE . 0.1 OUTLIER -82.72 57.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.518 0.675 . . . . 0.0 110.666 179.841 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.35 35.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.829 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.7 tttp -147.65 -46.64 0.17 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.864 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -72.27 123.22 22.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.964 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 18.5 p -59.3 -29.99 68.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.957 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 15.1 t-160 -58.06 -38.87 77.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.013 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.05 -39.02 83.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.779 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.09 -33.47 76.1 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.024 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -70.9 -38.28 73.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.83 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 12.8 mt -70.67 -34.86 58.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.011 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -70.12 -32.49 70.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -30.96 71.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.773 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -112.3 97.4 39.36 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.828 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -84.16 31.17 0.51 Allowed 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 123.03 2.487 . . . . 0.0 112.715 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.9 mt -128.28 135.05 63.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.769 0.319 . . . . 0.0 110.989 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 109.81 113.54 3.55 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.616 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -55.16 -23.78 23.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.747 0.308 . . . . 0.0 111.183 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -55.67 -27.98 52.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.152 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -65.93 -44.02 86.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.877 0.37 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 77.1 m -72.01 -31.57 66.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.648 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -73.98 -33.9 64.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.824 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.37 -36.96 71.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.0 tp -72.06 -40.63 68.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.786 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -71.18 -29.58 65.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.098 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -87.41 -29.03 21.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.111 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.3 p -110.59 44.12 1.31 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.136 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.4 p -97.89 134.79 34.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.128 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.3 m -98.34 26.32 5.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.079 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.123 179.974 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.913 0.387 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 75.5 m -126.9 157.13 40.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 15.9 t -141.78 154.97 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.968 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 39.9 t -111.83 123.89 51.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.631 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 14.8 m -109.94 131.66 54.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.819 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.09 0 CA-C-O 118.397 -1.224 . . . . 0.0 112.531 179.893 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.458 -0.043 0 CA-C-O 120.785 0.326 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.4 125.02 36.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.714 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 41.2 t -126.06 149.98 48.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.231 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.6 123.33 40.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.614 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.488 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 1.5 p -65.32 166.26 14.4 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.708 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.488 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 9.6 Cg_endo -50.8 -25.35 15.25 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.426 2.084 . . . . 0.0 111.889 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.45 10.07 39.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.214 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 66.18 39.67 4.15 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.953 0.406 . . . . 0.0 111.207 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.22 136.16 19.49 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.246 179.545 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -58.19 120.94 9.15 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.46 2.107 . . . . 0.0 112.484 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -142.99 -159.4 7.93 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.199 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.88 152.1 51.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.861 0.362 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 50.1 t -109.8 126.06 53.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.775 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 28.7 m -139.92 157.02 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.071 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -54.84 -178.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.16 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.2 pp -86.89 5.64 3.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.563 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.3 pttt -124.78 23.5 7.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.991 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.95 -40.35 1.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.3 t -69.77 134.17 48.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 68.1 p -65.81 -32.27 73.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.079 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.3 m170 -58.83 -33.79 70.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.003 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -69.07 -40.32 78.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.15 -33.99 77.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.121 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -67.04 -38.71 86.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.985 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 12.8 mt -68.78 -36.7 75.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.017 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.21 -31.5 68.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.92 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -82.38 -39.62 22.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.054 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -178.61 100.02 0.21 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.004 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -80.58 109.88 2.33 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 122.281 1.987 . . . . 0.0 112.347 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.1 pt -101.62 136.72 32.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.053 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 66.58 114.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.509 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -59.53 -29.13 67.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.776 0.322 . . . . 0.0 110.942 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.8 p30 -58.75 -30.89 67.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.982 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -72.71 -36.06 67.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.1 m -69.99 -33.28 71.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.799 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.7 m -71.42 -34.09 70.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.663 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -66.41 -37.93 86.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.72 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.42 -45.87 89.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.582 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -31.48 72.36 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.729 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.5 -26.99 64.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.798 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 48.5 m -96.23 35.73 1.42 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.961 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 11.1 p -70.95 127.26 32.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.032 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.56 63.94 0.28 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.999 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.075 179.906 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 26.8 m120 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.878 0.371 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.4 m -118.85 164.34 15.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 17.6 t -133.85 160.45 41.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.994 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 86.1 m -111.7 123.84 51.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.813 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 15.7 m -116.0 119.01 34.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.09 0 CA-C-O 118.396 -1.224 . . . . 0.0 112.508 -179.945 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.691 0.282 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.49 128.97 45.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.713 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 15.2 p -133.73 166.96 21.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.23 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.2 mp -98.05 122.96 41.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.734 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.469 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 1.1 p -66.36 166.63 16.18 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.689 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.469 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 8.5 Cg_endo -50.32 -25.7 14.2 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.563 2.176 . . . . 0.0 111.987 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.76 7.14 45.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.142 179.698 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 65.62 39.66 4.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.97 0.414 . . . . 0.0 111.117 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -108.71 135.71 20.05 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.328 179.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -52.85 123.33 12.8 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.277 1.985 . . . . 0.0 112.302 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -148.14 -155.74 6.77 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.205 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.2 pttm -134.07 149.12 51.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.891 0.377 . . . . 0.0 111.025 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 52.0 t -109.79 125.98 53.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.608 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 30.1 m -141.53 157.15 21.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.883 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -52.91 -178.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.8 pp -87.32 5.07 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.511 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.7 ptmt -127.83 23.02 6.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.031 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -121.96 -38.11 2.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.828 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.5 t -75.76 113.21 12.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.723 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.7 m -57.13 -39.43 75.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.078 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.8 -37.16 83.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.706 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.3 tp -65.5 -39.49 91.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.89 -34.01 77.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -66.09 -43.52 87.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.432 HD13 HG23 ' A' ' 95' ' ' ILE . 37.3 mm -65.73 -36.44 77.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.069 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.11 -31.06 68.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.953 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -85.96 -32.34 21.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -124.12 72.41 55.56 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.078 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -77.16 108.55 2.65 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.629 2.219 . . . . 0.0 112.398 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 9.7 pt -126.62 119.08 52.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.265 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 74.66 126.64 0.16 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.59 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.46 -24.02 42.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.79 0.329 . . . . 0.0 111.214 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -57.42 -30.54 65.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.104 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 105' ' ' THR . 0.0 OUTLIER -73.59 -31.79 63.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.962 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.419 ' N ' ' HG3' ' A' ' 104' ' ' GLU . 2.3 m -72.25 -37.13 69.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.987 0.423 . . . . 0.0 110.865 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 24.5 m -70.25 -34.0 72.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.655 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -67.23 -34.97 78.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.829 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.4 tt -69.97 -38.54 76.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.759 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.82 -31.97 68.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.785 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -69.87 -29.18 66.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.986 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 11.5 p -96.92 37.32 1.31 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.3 p -87.27 128.56 39.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.201 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.78 64.05 0.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.105 0.479 . . . . 0.0 110.856 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.078 -179.971 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.866 0.365 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 58.8 m -143.93 147.61 34.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 10.0 t -131.49 162.06 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 1.3 m -111.8 123.89 51.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.884 0.374 . . . . 0.0 111.156 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 85.4 m -122.21 118.87 29.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.594 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.091 0 CA-C-O 118.372 -1.238 . . . . 0.0 112.54 -179.875 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.4 tp . . . . . 0 CA--C 1.526 0.055 0 CA-C-O 120.832 0.348 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.87 127.74 32.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.718 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 43.4 t -124.87 156.11 38.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.184 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.4 mp -105.53 126.15 51.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.928 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.471 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 35.8 p -61.98 168.55 3.57 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.523 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.471 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 71.9 Cg_exo -51.62 -24.8 18.21 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.302 2.002 . . . . 0.0 112.144 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.12 9.69 42.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 70.45 36.38 1.74 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.878 0.37 . . . . 0.0 110.957 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.84 124.14 57.49 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.638 179.682 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.11 125.48 17.46 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.412 2.075 . . . . 0.0 112.315 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -151.52 -156.82 7.6 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.528 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -131.55 152.21 50.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.816 0.341 . . . . 0.0 110.871 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 43.3 t -109.9 129.52 55.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.995 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 21.7 m -142.03 157.08 20.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.043 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -55.4 -174.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.5 tp -97.39 27.61 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.152 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.2 mtpp -144.64 29.38 1.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -134.57 -52.25 0.81 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.969 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 2.7 t -58.14 126.62 28.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.926 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -64.9 -31.6 72.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.937 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 -59.72 -33.42 71.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.83 -39.65 76.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.32 -32.12 73.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.175 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.61 -42.95 70.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.186 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -69.62 -34.85 63.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.717 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -68.97 -30.94 69.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.709 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.51 -31.7 67.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.842 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -165.99 81.43 1.08 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -73.97 137.53 24.37 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.588 2.192 . . . . 0.0 112.343 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.435 HD11 HG21 ' A' ' 100' ' ' ILE . 0.2 OUTLIER -151.1 169.51 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.065 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 64.46 112.82 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.448 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -60.27 -31.0 69.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.798 0.332 . . . . 0.0 111.003 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -72.11 -30.95 65.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.012 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -72.0 -40.75 68.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.017 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 9.8 t -71.0 -33.16 70.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 57.3 m -73.69 -34.99 65.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -69.83 -34.02 73.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.691 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.3 tt -66.21 -40.97 90.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.533 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -71.0 -30.12 66.26 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.606 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -72.63 -22.03 61.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.926 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.54 32.32 1.41 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.012 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.9 p -77.27 144.86 10.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-O 120.989 0.423 . . . . 0.0 110.708 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.4 15.86 8.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.794 -179.583 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.322 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.934 179.699 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 15.8 t30 . . . . . 0 N--CA 1.456 -0.144 0 CA-C-O 120.841 0.353 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.2 p -96.68 135.47 38.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.47 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 15.2 t -119.99 162.15 18.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.244 -179.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 95.6 m -111.51 123.91 51.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.616 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 61.7 m -122.38 118.86 29.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.999 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 CA-C-O 118.408 -1.218 . . . . 0.0 112.516 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.526 0.022 0 CA-C-O 120.764 0.316 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.85 127.4 34.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.822 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 42.9 t -124.97 155.54 39.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.032 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mp -100.81 122.94 44.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.783 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.497 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 70.4 p -65.54 168.17 8.98 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.637 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.497 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 74.4 Cg_exo -51.5 -27.91 26.48 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.319 2.012 . . . . 0.0 112.064 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.52 7.33 43.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.091 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 16.9 m120 67.32 39.78 2.9 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.842 0.353 . . . . 0.0 111.177 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.1 mmtm -104.63 132.75 20.64 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.29 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -50.46 126.39 17.67 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.392 2.061 . . . . 0.0 112.521 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -147.08 -159.28 8.23 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.285 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.02 152.05 51.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.766 0.317 . . . . 0.0 111.003 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 52.0 t -111.8 129.1 56.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.984 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 5.5 m -141.92 156.96 20.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.972 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -55.05 177.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -91.68 48.26 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.111 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -170.1 34.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.471 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.2 tttm -143.65 -45.7 0.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 18.8 t -59.57 118.37 5.99 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 29.2 p -58.9 -32.88 69.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.017 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 7.2 m80 -63.95 -37.21 86.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.24 -37.94 81.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.756 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.2 -33.47 75.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.111 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -70.6 -40.01 73.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 23.3 mt -67.07 -34.97 73.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.881 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -64.55 -36.61 84.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.671 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.27 -35.7 40.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.766 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.42 ' CB ' ' HD2' ' A' ' 99' ' ' PRO . 1.1 m-20 -62.93 166.76 7.16 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.737 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.42 ' HD2' ' CB ' ' A' ' 98' ' ' ASP . 9.8 Cg_endo -51.1 120.0 6.15 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.566 2.177 . . . . 0.0 112.087 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.4 tt -83.15 142.62 13.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 CA-C-O 121.185 0.517 . . . . 0.0 111.029 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -170.04 -176.76 39.89 Favored Glycine 0 N--CA 1.451 -0.317 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.408 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -59.83 -30.3 68.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.818 0.342 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -69.32 -31.78 70.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.957 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.84 -37.02 83.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 18.6 m -72.89 -33.98 66.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.707 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 19.3 m -71.52 -34.06 69.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.759 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -67.55 -35.25 78.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.5 mp -71.91 -36.86 70.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.867 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.43 ' HA ' ' CG1' ' A' ' 112' ' ' VAL . 2.9 tptp -69.85 -31.51 69.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.919 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -72.62 -31.02 64.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 50.6 m -102.59 41.1 1.27 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.43 ' CG1' ' HA ' ' A' ' 109' ' ' LYS . 35.4 m -83.3 143.19 12.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.066 0.46 . . . . 0.0 111.001 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.1 24.61 5.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.189 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.204 0 CA-C-O 120.977 0.417 . . . . 0.0 111.349 179.948 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.933 0.397 . . . . 0.0 110.831 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 28.0 t -107.26 170.66 7.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.847 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 21.6 t -145.47 157.5 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.075 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 49.1 m -112.03 125.19 53.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.81 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 55.6 m -123.57 124.95 43.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.347 -1.252 . . . . 0.0 112.509 -179.961 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.0 tp . . . . . 0 C--O 1.228 -0.037 0 CA-C-O 120.674 0.273 . . . . 0.0 110.617 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.28 121.7 36.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.033 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 15.1 p -125.02 166.85 15.62 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.017 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.5 122.92 38.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.431 ' CB ' ' HD2' ' A' ' 76' ' ' PRO . 0.5 OUTLIER -66.14 167.88 10.97 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.741 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.431 ' HD2' ' CB ' ' A' ' 75' ' ' THR . 10.0 Cg_endo -51.58 -25.3 19.32 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.469 2.112 . . . . 0.0 111.989 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.01 8.59 43.29 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.071 179.699 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.6 m120 68.33 38.81 2.41 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.823 0.344 . . . . 0.0 111.048 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.69 133.58 20.2 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.492 179.595 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -56.84 120.02 7.65 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.354 2.036 . . . . 0.0 112.243 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -143.3 -150.8 5.36 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.361 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.05 147.39 50.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.79 0.329 . . . . 0.0 110.97 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 40.6 t -109.84 125.96 53.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.738 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 4.7 m -137.81 157.27 32.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.868 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -52.31 -178.09 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.117 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.1 tp -93.84 23.39 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.417 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -145.01 33.88 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.947 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -141.15 -49.48 0.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.174 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 36.9 t -54.17 129.22 34.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.206 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.7 t -69.0 -35.72 77.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.842 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -60.57 -38.37 84.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.654 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.42 -40.22 96.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.78 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.06 -34.06 77.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.936 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -64.97 -41.95 94.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.826 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 30.7 mm -69.47 -37.38 74.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.884 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -70.03 -32.81 71.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.808 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -69.62 -31.66 69.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.951 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -88.79 171.15 9.6 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -51.57 178.1 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.626 2.217 . . . . 0.0 112.29 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.9 mt -122.5 150.5 26.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.049 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -168.38 169.05 41.34 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.527 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -60.87 -34.3 74.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.834 0.35 . . . . 0.0 110.87 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.66 -33.02 74.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.789 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.71 -31.93 65.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.782 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.65 -34.86 74.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.4 m -71.71 -37.54 70.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.805 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -68.21 -33.98 75.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.38 -43.52 73.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.79 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.25 -26.17 68.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -83.82 -27.1 29.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.08 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.59 46.37 1.63 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.092 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 9.3 p -125.77 149.75 30.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.187 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.1 m -90.24 51.01 1.94 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.697 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.965 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 7.2 p30 . . . . . 0 CA--C 1.534 0.337 0 N-CA-C 110.477 -0.194 . . . . 0.0 110.477 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 66.48 142.08 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.853 0.359 . . . . 0.0 110.89 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 12.3 t -139.36 159.24 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.198 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 1.3 m -111.89 123.96 51.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.769 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 86.5 m -132.33 119.0 20.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.815 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.174 0 CA-C-O 118.362 -1.243 . . . . 0.0 112.538 -179.975 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.2 tt . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.856 0.36 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.27 121.97 43.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.796 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 27.8 p -124.84 153.93 41.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.973 0.416 . . . . 0.0 111.207 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.7 mp -93.85 122.83 36.75 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.753 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.8 p -67.08 166.26 21.3 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.755 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -49.61 -36.95 42.22 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.374 2.049 . . . . 0.0 112.077 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.442 ' O ' ' CB ' ' A' ' 78' ' ' ASN . 14.8 p30 -74.53 -21.02 59.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.716 179.411 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.442 ' CB ' ' O ' ' A' ' 77' ' ' ASP . 33.9 m-80 89.0 45.77 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.948 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.6 tttm -114.11 135.94 22.16 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.834 179.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_exo -50.54 123.86 12.2 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.132 1.888 . . . . 0.0 112.606 -179.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -142.06 -157.79 7.29 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.126 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 53.6 pttt -134.16 147.26 50.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.881 0.372 . . . . 0.0 111.039 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.4 t -109.71 125.53 52.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.548 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 21.4 m -142.15 157.13 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.246 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -56.35 -176.0 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.181 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.424 HG22 HD12 ' A' ' 86' ' ' ILE . 18.2 pt -88.06 3.81 5.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.503 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -123.8 26.95 7.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.969 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 25.5 tptp -134.51 -42.15 0.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.799 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 4.5 t -69.13 116.73 9.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.949 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 16.4 m -59.29 -29.99 67.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.971 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.66 -38.8 78.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.78 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -62.09 -41.24 97.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.736 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.99 -34.53 78.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.893 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -67.36 -43.31 81.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.907 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 33.9 mm -66.3 -34.94 73.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.827 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.28 -31.36 72.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.733 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -77.12 -30.84 55.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.72 119.99 72.48 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.82 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.75 106.41 0.17 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.549 2.166 . . . . 0.0 112.322 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.4 pp -153.16 158.79 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.183 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -132.9 -81.72 0.19 Allowed Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.554 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -58.91 -32.08 69.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.891 0.377 . . . . 0.0 110.976 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -60.13 -30.04 69.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.964 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -72.47 -34.36 67.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 11.3 m -69.43 -37.94 77.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.61 -34.44 67.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.761 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -71.96 -33.97 68.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.733 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.02 -38.08 75.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm -71.12 -29.76 65.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.964 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 12.2 m-20 -88.71 -30.35 19.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.082 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 64.0 m -101.22 39.0 1.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.082 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.9 p -105.75 147.96 10.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.016 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -96.25 33.51 1.75 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.993 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.223 179.902 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.851 0.358 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.1 m -152.34 172.76 15.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.017 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 12.3 t -142.79 157.74 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 40.5 t -111.64 124.81 53.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.694 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 13.0 m -121.36 123.79 43.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.874 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.371 -1.238 . . . . 0.0 112.473 179.956 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.791 0.329 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.56 127.13 47.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.787 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 24.1 p -125.21 161.93 25.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.874 0.369 . . . . 0.0 111.132 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.2 mp -102.96 122.92 45.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.856 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.481 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 2.3 p -65.06 165.39 16.52 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.685 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.481 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 9.6 Cg_endo -50.8 -25.02 14.49 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.562 2.175 . . . . 0.0 112.111 179.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.52 9.2 43.05 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.183 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.9 m120 67.63 40.67 2.47 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.839 0.352 . . . . 0.0 111.106 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.15 129.19 25.6 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.368 179.448 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.14 123.71 13.19 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.199 1.933 . . . . 0.0 112.437 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -145.46 -159.19 8.01 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.385 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 27.3 mmtt -133.72 146.56 50.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.909 0.385 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 53.6 t -109.87 126.9 54.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.825 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.3 m -141.24 157.09 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.981 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -50.66 176.43 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.195 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -83.22 0.68 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.569 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -123.14 22.55 9.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.966 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.84 -38.45 2.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.756 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 2.9 t -72.9 115.12 11.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.715 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.27 -33.57 67.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.004 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.24 -38.19 82.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.946 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.72 -38.09 76.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.71 179.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.25 -32.78 74.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.224 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.17 -43.57 73.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.047 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -69.75 -34.73 62.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.682 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -69.08 -32.85 72.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.716 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -67.12 -31.73 72.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.739 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.405 ' CB ' ' HD2' ' A' ' 99' ' ' PRO . 2.4 m-20 -102.84 166.01 12.67 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.739 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.405 ' HD2' ' CB ' ' A' ' 98' ' ' ASP . 9.4 Cg_endo -52.36 149.57 22.63 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.573 2.182 . . . . 0.0 112.11 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.8 mp -103.92 142.27 17.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.33 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -134.39 -167.3 11.45 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.388 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -67.07 -31.69 72.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.732 0.301 . . . . 0.0 110.971 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -64.31 -29.94 71.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -71.96 -37.64 69.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.7 m -70.66 -38.52 73.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.827 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 64.3 m -69.25 -33.92 74.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.758 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.15 -41.72 73.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.72 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.21 -36.47 84.19 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.841 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 20.9 mtpt -63.54 -39.2 93.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.284 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.412 ' OD1' ' N ' ' A' ' 111' ' ' SER . 22.1 p30 -88.19 -27.49 21.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.208 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.412 ' N ' ' OD1' ' A' ' 110' ' ' ASN . 0.2 OUTLIER -97.01 32.15 2.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.007 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.2 p -99.14 143.36 13.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.937 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 98.0 m -96.62 35.39 1.51 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.956 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.174 179.952 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.837 0.351 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -141.99 163.81 31.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.778 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 20.6 t -144.94 158.4 14.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.044 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 50.3 t -111.74 123.75 50.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.785 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 13.2 m -117.91 119.04 33.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.8 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.532 179.926 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.5 tp . . . . . 0 N--CA 1.458 -0.042 0 CA-C-O 120.773 0.32 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.73 131.56 37.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.859 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.427 ' HB2' ' HB2' ' A' ' 83' ' ' CYS . 13.4 t -124.95 158.99 32.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.237 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.5 mp -105.55 125.57 51.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.796 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.482 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 30.6 p -60.95 168.85 2.35 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.623 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.482 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 64.2 Cg_exo -52.04 -24.73 20.4 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.247 1.965 . . . . 0.0 112.029 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -98.02 9.27 43.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.181 179.619 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 71.36 35.83 1.45 Allowed 'General case' 0 C--N 1.334 -0.097 0 CA-C-O 121.002 0.43 . . . . 0.0 110.931 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -96.79 142.5 24.63 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.451 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_endo -58.16 121.99 10.94 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.376 2.051 . . . . 0.0 112.266 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -141.16 -158.8 7.67 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.388 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.04 152.18 51.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.885 0.374 . . . . 0.0 111.116 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.427 ' HB2' ' HB2' ' A' ' 73' ' ' CYS . 41.0 t -110.31 125.65 53.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.814 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 29.1 m -142.39 157.11 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.961 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.02 -170.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.78 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.447 HD13 HG23 ' A' ' 86' ' ' ILE . 18.2 pt -87.37 6.42 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.58 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -116.38 25.73 10.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.4 tttp -141.82 -43.58 0.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.102 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -54.84 125.43 20.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.012 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 27.0 p -59.57 -30.22 68.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -57.54 -33.19 67.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.929 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.78 -39.6 76.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.785 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.1 -34.36 78.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.128 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -67.44 -38.46 84.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 9.7 mt -67.53 -34.99 71.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.0 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -35.56 79.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.95 -31.86 21.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -156.92 88.47 2.67 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.948 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -81.71 55.9 5.7 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 122.442 2.095 . . . . 0.0 112.533 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.7 tt -112.68 145.85 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.972 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 106.6 103.09 2.85 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.502 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.34 -27.57 69.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.742 0.306 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -71.94 -28.9 63.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.983 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -69.58 -39.17 77.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.031 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.8 t -71.42 -34.31 70.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.79 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 8.9 m -71.59 -33.83 69.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.723 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.415 ' CE2' ' HG2' ' A' ' 76' ' ' PRO . 1.2 t80 -69.5 -34.08 73.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.1 tp -68.34 -38.64 81.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.93 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.5 -30.32 68.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -83.28 -25.19 31.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.964 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 61.3 p -102.55 40.49 1.35 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.952 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 19.6 t -91.32 158.94 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.941 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.79 27.13 5.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.141 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.146 179.991 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.683 0.278 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 76.1 p -102.36 125.52 49.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.887 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 15.8 t -119.83 161.86 18.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.11 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 92.4 m -111.62 123.89 51.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.83 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.8 m -123.97 119.01 28.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.765 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.477 -1.179 . . . . 0.0 112.56 -179.978 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.0 tp . . . . . 0 N--CA 1.456 -0.172 0 CA-C-O 120.893 0.378 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.59 126.59 38.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.976 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 15.2 t -124.95 158.74 32.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.034 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.1 mp -107.39 123.35 48.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.783 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.435 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 11.7 p -60.8 169.27 2.01 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.832 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.435 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 53.4 Cg_exo -52.86 -27.36 34.53 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.389 2.059 . . . . 0.0 111.881 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.96 7.16 46.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.095 179.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 19.0 m-20 72.72 37.64 0.83 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.864 0.364 . . . . 0.0 110.94 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.0 tptt -99.7 138.28 20.37 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.461 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_exo -51.53 126.5 19.69 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.425 2.083 . . . . 0.0 112.469 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -147.9 -166.21 12.51 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.179 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.46 151.02 51.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.784 0.326 . . . . 0.0 110.933 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 44.7 t -109.9 125.94 53.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.83 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 15.2 m -135.63 157.35 39.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.172 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -52.06 -177.35 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.304 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -99.07 35.1 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.278 0.561 . . . . 0.0 111.175 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.3 pttm -154.23 46.7 0.59 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.434 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -164.02 -43.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.376 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 8.6 t -57.43 130.68 47.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.824 0.345 . . . . 0.0 110.877 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 72.4 p -58.39 -34.54 70.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.069 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.416 ' CE1' HD13 ' A' ' 95' ' ' ILE . 63.1 t-80 -59.58 -36.59 76.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.907 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -70.15 -38.82 75.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.715 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.09 -32.99 74.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.049 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -69.69 -39.12 77.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.416 HD13 ' CE1' ' A' ' 91' ' ' HIS . 14.2 mt -70.69 -37.36 68.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.015 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -70.2 -30.92 68.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.812 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -83.33 -33.72 25.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.019 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.34 161.55 24.92 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.979 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.02 162.06 4.35 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.488 2.125 . . . . 0.0 112.271 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 16.0 tt -113.18 151.34 15.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.989 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -151.88 175.39 30.66 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.459 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -66.82 -34.18 77.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.878 0.37 . . . . 0.0 110.987 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -70.01 -33.06 71.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -74.8 -32.05 61.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.9 m -73.49 -33.37 64.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.1 m -72.87 -38.55 66.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -72.2 -34.19 68.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.652 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 9.7 tt -72.1 -34.95 69.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.27 -30.61 67.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 17.5 m-20 -78.68 -26.64 44.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.934 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.3 p -97.24 38.47 1.25 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.863 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 17.6 t -101.49 159.73 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.18 58.16 2.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 58.31 99.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.225 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 120.31 118.02 2.63 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.45 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_exo -51.31 -26.26 20.2 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.587 2.191 . . . . 0.0 112.363 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -135.62 107.91 7.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.963 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -154.6 17.71 0.46 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 46.93 29.2 0.98 Allowed 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.791 0.329 . . . . 0.0 111.333 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -143.85 158.87 43.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.069 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 12.1 t -139.14 163.05 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.758 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 16.4 m -111.62 123.92 51.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.887 0.375 . . . . 0.0 110.691 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 10.3 m -119.21 118.86 32.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.82 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.412 -1.216 . . . . 0.0 112.552 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.839 0.352 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.9 128.51 33.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.966 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 19.7 p -124.87 159.34 31.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.035 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -101.82 122.91 44.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.485 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 72.6 p -65.6 168.19 9.06 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.485 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.485 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 76.1 Cg_exo -51.56 -27.64 26.0 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.207 1.938 . . . . 0.0 112.087 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.44 7.17 44.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.104 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 68.14 38.73 2.58 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.848 0.356 . . . . 0.0 111.118 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.43 128.58 32.65 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.406 179.45 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.18 121.99 10.84 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.321 2.014 . . . . 0.0 112.404 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -148.2 -158.3 7.9 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.447 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.1 mtpm? -133.39 146.09 50.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.688 0.28 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 48.5 t -109.92 125.92 53.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.962 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 15.6 m -127.54 156.07 39.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.077 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -56.45 -175.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 16.5 mm -87.8 51.84 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.143 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.2 ptmt -171.42 35.62 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.9 tttt -151.36 -44.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.083 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -50.26 137.89 17.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.9 m -58.55 -29.98 66.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.844 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -60.78 -32.15 71.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.443 ' HA ' HG23 ' A' ' 95' ' ' ILE . 3.7 mm? -65.7 -44.16 86.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.929 0.395 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.53 -35.02 79.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.018 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -71.02 -41.9 70.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.054 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.443 HG23 ' HA ' ' A' ' 92' ' ' LEU . 2.2 tp -68.73 -34.83 66.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.012 0.434 . . . . 0.0 110.519 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -62.55 -32.0 72.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.489 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -72.42 -9.88 59.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.295 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 t70 70.02 66.32 0.45 Allowed Pre-proline 0 C--O 1.232 0.156 0 CA-C-O 120.792 0.33 . . . . 0.0 110.836 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -89.26 -167.73 0.29 Allowed 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 123.004 2.469 . . . . 0.0 112.527 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.9 tt -129.46 144.19 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.784 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 133.48 106.65 0.97 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.462 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -67.07 -30.99 71.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.856 0.36 . . . . 0.0 111.059 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -59.73 -30.92 69.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -71.07 -36.65 72.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.68 -36.46 67.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.814 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.6 m -71.56 -33.89 69.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.688 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -68.5 -34.43 75.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.7 mt -68.75 -39.82 80.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -30.77 67.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.907 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -82.78 -28.73 30.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.052 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.36 37.81 1.32 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.99 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.1 p -92.59 131.38 39.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.166 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.2 m -71.42 63.73 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.81 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.74 142.46 58.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.052 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 124.66 -91.34 0.42 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.441 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.87 -47.79 25.54 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.628 2.219 . . . . 0.0 112.195 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -151.79 165.9 33.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.85 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.03 -40.34 13.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.961 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 24.8 m-20 -80.71 80.12 7.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 70.0 m -159.23 143.19 15.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 79.7 t -130.1 157.88 42.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 1.3 m -111.89 128.9 56.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.991 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 5.5 m -126.31 118.98 26.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.757 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.436 -1.202 . . . . 0.0 112.496 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.764 0.316 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.34 130.4 34.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.711 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 22.3 t -124.95 158.09 34.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.082 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -105.89 125.62 51.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.866 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.481 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 31.0 p -62.42 168.38 4.19 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.688 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.481 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 72.6 Cg_exo -51.81 -24.99 19.79 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.367 2.045 . . . . 0.0 112.082 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.48 9.97 41.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 21.2 m-20 69.71 38.14 1.74 Allowed 'General case' 0 C--N 1.334 -0.103 0 CA-C-O 120.819 0.342 . . . . 0.0 111.013 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.16 133.39 22.14 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.508 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -51.76 125.82 18.07 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.342 2.028 . . . . 0.0 112.448 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -147.32 -162.19 9.85 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.884 -0.675 . . . . 0.0 112.327 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -134.0 152.0 51.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.885 0.374 . . . . 0.0 110.996 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 50.6 t -109.85 125.92 53.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.825 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 18.2 m -140.11 157.05 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.073 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -51.75 178.57 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.302 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.4 pp -85.5 3.51 3.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.495 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.3 ptmt -126.15 22.44 7.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.068 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.26 -37.7 2.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.772 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 2.6 t -73.34 126.14 29.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.793 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.9 t -60.44 -33.88 73.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.048 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -61.36 -38.85 88.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.897 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.28 -40.32 81.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.778 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.07 -32.46 74.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.59 -38.09 77.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.894 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 11.3 mt -70.51 -37.19 69.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.021 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -70.14 -30.93 68.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.956 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -75.16 -32.16 61.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.011 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -123.52 104.92 33.67 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.941 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.18 62.23 2.59 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.475 2.117 . . . . 0.0 112.286 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.8 pp -148.12 173.86 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.075 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 79.69 81.05 0.77 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.82 -31.67 72.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.834 0.349 . . . . 0.0 110.949 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -72.11 -27.93 62.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.044 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -73.5 -40.43 64.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.032 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.421 HG21 ' N ' ' A' ' 106' ' ' THR . 12.8 t -72.12 -29.98 64.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.421 ' N ' HG21 ' A' ' 105' ' ' THR . 34.9 m -76.02 -35.68 59.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.77 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -69.94 -33.86 72.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.611 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 10.8 tp -66.17 -38.85 89.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.405 ' HA ' ' CG1' ' A' ' 112' ' ' VAL . 0.0 OUTLIER -71.02 -31.03 67.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 179.835 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -75.37 -29.19 59.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.748 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.1 t -103.3 41.85 1.22 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.68 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.405 ' CG1' ' HA ' ' A' ' 109' ' ' LYS . 28.1 m -89.86 146.0 6.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.72 62.54 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.895 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.91 156.83 8.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.091 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 121.81 -91.86 0.48 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.417 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -69.13 -169.02 0.27 Allowed 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.475 2.117 . . . . 0.0 112.085 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -130.54 105.4 7.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -179.83 26.48 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.399 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 9.0 m120 43.81 90.77 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.678 0.275 . . . . 0.0 111.378 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 69.7 m -135.68 160.92 37.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.858 0.361 . . . . 0.0 111.186 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 13.4 t -131.66 161.58 40.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.937 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 78.4 m -111.7 123.87 51.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.794 0.33 . . . . 0.0 111.13 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 75.7 m -122.35 118.85 29.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.763 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.389 -1.228 . . . . 0.0 112.516 -179.986 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.6 tp . . . . . 0 C--O 1.227 -0.105 0 CA-C-O 120.779 0.323 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.93 123.23 32.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.733 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 19.8 p -125.0 152.95 43.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.087 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.87 122.83 36.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.835 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.472 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 2.2 p -67.62 164.93 34.47 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.736 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.472 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 9.6 Cg_endo -51.06 -25.68 17.16 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.528 2.152 . . . . 0.0 111.918 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.94 9.21 41.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.109 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.3 m120 64.7 43.38 4.23 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.919 0.39 . . . . 0.0 111.215 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -106.34 118.75 53.94 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.273 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_exo -49.59 121.69 7.6 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.292 1.995 . . . . 0.0 112.347 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -147.64 -156.28 6.94 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.445 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -133.99 150.62 51.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.829 0.347 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 39.5 t -109.89 125.99 53.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.616 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 5.7 m -141.58 157.16 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.959 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -54.32 176.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.189 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -80.48 -1.67 4.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.541 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.6 mttm -109.69 22.1 16.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.887 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.6 tttm -136.57 -39.13 0.65 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.781 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -57.21 116.83 3.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.59 -31.75 72.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.933 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 41.4 m-70 -59.8 -35.83 75.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.79 -40.33 83.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.798 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.09 -33.53 76.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.093 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -66.78 -40.81 88.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 27.0 mt -67.61 -34.91 71.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.994 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -67.79 -32.9 73.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.82 -32.52 21.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.96 160.13 61.34 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.8 -172.09 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.644 2.229 . . . . 0.0 112.273 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.6 pt -87.37 -179.48 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 158.43 130.57 1.19 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.507 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -30.76 69.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.82 0.343 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.407 ' O ' HG22 ' A' ' 106' ' ' THR . 1.4 m-20 -63.68 -28.62 70.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -75.16 -34.6 61.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.765 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 57.7 m -74.1 -35.75 64.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.407 HG22 ' O ' ' A' ' 103' ' ' ASP . 4.8 t -72.35 -33.9 67.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.709 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -69.42 -34.12 73.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 38.0 tp -71.9 -38.1 70.0 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.403 ' HA ' ' CG1' ' A' ' 112' ' ' VAL . 9.7 mttt -71.06 -29.28 65.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.005 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -76.07 -29.86 58.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.9 m -105.29 42.2 1.26 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.937 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.403 ' CG1' ' HA ' ' A' ' 109' ' ' LYS . 28.1 m -87.67 131.56 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.201 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.98 36.87 1.36 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.875 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 61.82 101.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.205 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -176.38 132.7 2.14 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.463 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.59 122.61 11.89 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.48 2.12 . . . . 0.0 112.372 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 63.55 -79.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.985 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -159.05 135.55 9.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -179.29 -38.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.816 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.1 m -123.09 134.23 54.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.819 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 11.8 t -140.48 161.89 24.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.065 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 1.5 m -111.76 124.22 51.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.856 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 18.3 m -129.3 118.98 23.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.817 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.398 -1.223 . . . . 0.0 112.45 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.69 0.281 . . . . 0.0 110.786 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.45 126.4 40.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.861 0.362 . . . . 0.0 110.797 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 17.6 p -134.3 166.02 23.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.081 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.5 mp -98.57 123.54 42.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.806 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.502 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 26.9 p -65.99 167.68 11.17 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.614 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.502 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 76.4 Cg_exo -50.92 -25.61 16.28 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.319 2.013 . . . . 0.0 112.096 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.93 7.82 43.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.104 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 65.22 39.34 5.47 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.9 0.381 . . . . 0.0 111.178 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -107.18 134.78 19.77 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.301 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -50.89 125.46 16.07 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.327 2.018 . . . . 0.0 112.485 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -153.49 -159.45 9.13 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.543 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.9 pttm -133.72 152.32 51.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.69 0.281 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 35.2 t -109.77 128.23 55.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.653 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.4 m -134.25 157.22 41.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.932 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -53.77 -175.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.082 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.45 HD11 HG23 ' A' ' 86' ' ' ILE . 0.3 OUTLIER -96.04 23.84 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 -179.857 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -150.49 29.38 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.816 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -131.29 -44.16 1.03 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.8 t -66.7 135.53 54.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.981 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 49.9 p -68.27 -29.93 68.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 44.1 m170 -56.65 -41.57 77.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.726 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.67 -40.75 93.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.799 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.03 -34.44 78.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.938 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.76 -43.71 79.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 34.2 mm -66.33 -34.94 73.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.868 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.23 -31.2 71.87 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.844 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.95 -31.27 45.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -139.97 60.79 16.1 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.39 93.73 0.67 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.519 2.146 . . . . 0.0 112.355 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.6 pp -147.2 171.56 3.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 76.69 112.06 0.14 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.548 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -60.4 -32.27 71.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.793 0.33 . . . . 0.0 110.802 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -63.04 -32.57 73.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.16 -33.57 70.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.17 -36.15 71.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.0 m -69.17 -33.96 74.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -69.97 -34.03 72.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.8 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.11 -35.89 76.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 5.0 mttm -71.0 -30.49 66.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -82.35 -29.36 31.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.3 t -97.3 38.54 1.25 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 14.4 p -100.97 142.0 16.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.05 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.8 m -95.07 38.71 1.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.05 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -176.01 177.24 1.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.086 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -104.33 -91.94 2.23 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.523 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.88 -59.68 0.97 Allowed 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.611 2.208 . . . . 0.0 112.345 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -60.75 175.71 0.46 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -148.89 30.94 0.79 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -99.45 28.61 4.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.968 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.17 143.82 27.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.536 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 15.5 t -146.2 161.9 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.119 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 1.2 m -111.64 123.88 51.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.637 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 32.7 m -116.83 119.22 34.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.906 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.394 -1.225 . . . . 0.0 112.497 -179.938 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.403 ' O ' ' HA ' ' A' ' 82' ' ' LYS . 9.3 mp . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.627 0.251 . . . . 0.0 110.58 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.53 121.72 40.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.948 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.407 ' HB3' ' HB2' ' A' ' 83' ' ' CYS . 25.8 p -124.92 157.95 34.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.909 0.385 . . . . 0.0 111.545 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.0 mp -109.02 122.8 48.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.745 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.433 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 3.5 p -74.11 172.83 7.58 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.655 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.433 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 53.4 Cg_exo -52.82 -30.76 48.66 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.297 1.998 . . . . 0.0 111.728 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.87 -7.65 58.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.86 179.368 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.2 m120 70.78 38.88 1.15 Allowed 'General case' 0 C--O 1.231 0.108 0 CA-C-O 121.049 0.452 . . . . 0.0 110.946 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.0 pttt -104.7 108.5 61.03 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.841 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -43.52 124.57 4.29 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.51 2.14 . . . . 0.0 112.853 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -142.72 -146.19 4.57 Favored Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.921 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 1.7 mttp -134.16 148.92 51.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.767 0.318 . . . . 0.0 111.132 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.407 ' HB2' ' HB3' ' A' ' 73' ' ' CYS . 14.7 t -109.72 130.09 55.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.018 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 21.3 m -141.42 157.07 21.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.93 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 -54.99 -175.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.053 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.4 pp -90.93 10.76 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.34 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -135.6 27.2 3.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.0 tttm -125.88 -43.79 1.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -68.69 115.49 8.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.6 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 43.6 p -56.88 -30.6 64.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.205 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -61.15 -35.44 77.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.832 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.5 tt -70.49 -42.33 71.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.677 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.18 -30.81 71.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.075 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -70.28 -40.53 74.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.978 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 11.8 mt -68.11 -34.87 69.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -68.45 -34.49 76.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.022 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -85.96 -34.94 20.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.065 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -88.56 163.02 37.48 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.854 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -50.51 125.78 16.27 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.557 2.172 . . . . 0.0 112.371 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.3 tt -108.94 157.08 9.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.017 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -146.51 -176.45 20.33 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.451 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -66.02 -32.96 74.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.761 0.315 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -70.64 -32.03 69.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -71.25 -33.55 69.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.0 m -70.46 -36.02 73.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.9 m -72.11 -33.87 68.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.773 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -69.71 -33.99 73.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.744 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.5 -42.5 78.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.828 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.405 ' HA ' ' CG1' ' A' ' 112' ' ' VAL . 11.5 mtpp -70.98 -31.13 67.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.752 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.55 -31.7 63.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.7 m -97.6 38.3 1.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.798 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.405 ' CG1' ' HA ' ' A' ' 109' ' ' LYS . 35.7 m -89.08 175.59 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.211 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -95.35 28.02 3.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.177 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 52.79 -179.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.459 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 66.66 137.7 0.04 OUTLIER Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.586 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.431 ' O ' ' O ' ' A' ' 117' ' ' GLU . 73.2 Cg_endo -75.93 159.95 37.51 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.543 2.162 . . . . 0.0 112.294 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' A' ' 116' ' ' PRO . 17.5 pt-20 44.52 104.89 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.184 0.516 . . . . 0.0 111.77 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -171.06 -38.45 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.148 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 63.68 31.91 14.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.81 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.1 m -109.81 172.18 7.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.783 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 17.7 t -142.86 159.89 18.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.173 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 42.7 t -111.65 123.77 50.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.637 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 84.5 m -118.35 120.15 36.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.354 -1.248 . . . . 0.0 112.492 -179.965 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 17.8 tp . . . . . 0 C--O 1.229 0.014 0 CA-C-O 120.743 0.306 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.24 130.55 34.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.68 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 36.8 t -124.73 156.32 37.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.304 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -116.22 122.86 46.25 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.873 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.513 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 61.9 p -72.38 169.59 16.23 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.377 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.513 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 75.3 Cg_exo -50.93 -27.36 20.7 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.217 1.945 . . . . 0.0 112.033 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.56 6.25 44.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.073 179.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.2 m120 70.66 31.39 2.82 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.344 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -82.69 128.26 67.01 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.902 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -78.92 107.97 2.33 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.37 2.046 . . . . 0.0 113.112 -179.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.471 ' HA3' ' HA3' ' A' ' 124' ' ' GLY . . . -130.03 -144.94 5.69 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.668 -0.697 . . . . 0.0 112.257 179.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.57 152.46 51.8 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.767 0.318 . . . . 0.0 110.917 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 17.2 t -109.56 125.66 52.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.387 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 25.3 m -137.56 157.32 33.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.977 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -56.23 -166.31 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.997 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.404 ' HA ' ' CD2' ' A' ' 92' ' ' LEU . 1.7 pt -97.17 36.11 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.364 0.602 . . . . 0.0 111.158 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.2 pttt -155.16 47.94 0.54 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.02 -46.25 0.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.184 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 2.6 t -65.37 132.96 50.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.051 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.6 m -71.02 -30.0 66.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.955 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -56.31 -34.58 66.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.404 ' CD2' ' HA ' ' A' ' 86' ' ' ILE . 8.1 mp -67.8 -40.33 83.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.754 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.95 -32.5 74.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.898 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -66.24 -42.93 87.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 31.9 mm -68.41 -37.42 77.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.958 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -70.04 -30.94 68.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.937 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -70.61 -30.88 67.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.967 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -145.78 105.35 4.24 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.941 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -68.43 -166.06 0.14 Allowed 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.449 2.099 . . . . 0.0 112.242 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.2 mm 70.5 157.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.168 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 108.2 96.89 2.47 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.457 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.0 -33.08 70.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.814 0.34 . . . . 0.0 110.972 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -71.99 -31.07 65.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -72.28 -40.81 67.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.22 -35.21 71.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.705 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 25.0 m -71.34 -34.05 70.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.663 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -66.82 -35.08 79.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.831 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 8.6 mt -72.11 -39.5 68.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.824 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.8 tmtp? -71.06 -33.41 70.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.943 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -81.56 -28.52 33.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 73.9 m -97.13 37.91 1.29 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 11.3 p -90.18 135.73 25.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.006 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.05 29.36 2.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.066 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -163.36 -175.84 4.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.224 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -117.53 -76.35 0.56 Allowed Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.574 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.26 -34.06 22.54 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.592 2.195 . . . . 0.0 112.307 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.28 172.62 6.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.821 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -136.94 30.35 2.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.87 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -78.11 -30.26 49.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.6 m -100.88 138.95 37.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.789 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 28.3 t -128.8 159.23 40.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.095 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 42.4 t -111.84 133.11 54.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.616 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 55.8 m -134.08 118.85 18.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.75 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . 0.471 ' HA3' ' HA3' ' A' ' 81' ' ' GLY . . . . . . . . 0 C--O 1.246 0.901 0 CA-C-O 118.175 -1.347 . . . . 0.0 112.6 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.228 -0.035 0 CA-C-O 120.807 0.337 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.23 123.24 36.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.497 179.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 41.8 t -124.79 148.9 47.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.3 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.9 mp -99.38 122.84 43.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.805 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.496 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 34.0 p -61.9 168.31 3.76 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.504 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.496 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 76.1 Cg_exo -50.88 -24.58 13.94 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.272 1.981 . . . . 0.0 112.275 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.39 6.21 49.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.313 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 70.1 35.56 2.13 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.802 0.334 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.68 118.81 65.86 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.415 179.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_exo -50.44 123.6 11.57 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.346 2.031 . . . . 0.0 112.576 -179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -147.7 -152.4 5.66 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.164 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.6 mttp -133.99 152.08 51.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.77 0.319 . . . . 0.0 110.956 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 52.7 t -109.95 125.95 53.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.836 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 31.6 m -137.65 157.09 33.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.754 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -51.61 177.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.195 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.1 pp -85.5 5.08 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.624 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.8 24.21 5.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.24 -40.76 2.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.934 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 7.8 t -67.36 128.35 36.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.832 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.02 -33.78 75.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.068 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -59.32 -48.88 79.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.948 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.56 -39.88 85.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.739 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.08 -32.33 73.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.154 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -69.66 -37.65 76.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.823 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 28.6 mm -66.9 -42.0 88.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.074 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -70.11 -35.46 74.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.46 -31.8 71.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.945 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.04 70.71 12.13 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.2 87.41 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.623 2.216 . . . . 0.0 112.231 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.4 mt -137.82 139.27 43.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.169 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.54 99.53 0.79 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.525 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -66.28 -31.14 71.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.766 0.317 . . . . 0.0 110.873 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -69.58 -34.63 74.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.962 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -73.58 -34.56 65.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.748 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 23.3 m -72.75 -31.42 64.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.728 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 26.0 m -70.53 -35.94 73.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.816 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.34 -40.58 89.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.69 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.82 -42.23 95.14 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.687 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -69.1 -31.21 69.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.476 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -67.49 -29.08 68.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.661 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.6 m -94.97 36.93 1.17 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.82 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 11.9 p -81.81 139.12 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.18 62.95 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.831 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.0 163.24 2.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.209 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 134.7 -149.71 19.92 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.528 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.91 -27.87 25.23 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.569 2.179 . . . . 0.0 112.29 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -97.55 158.97 15.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.962 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -130.03 177.48 7.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.969 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 21.4 m-20 60.07 34.95 21.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.5 p -126.19 161.05 28.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.991 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 18.4 t -144.27 160.14 15.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.967 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 84.2 m -111.85 124.02 51.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.948 0.404 . . . . 0.0 110.728 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 74.8 m -127.29 124.9 39.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.843 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.521 -179.986 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.2 tt . . . . . 0 N--CA 1.456 -0.135 0 CA-C-O 120.735 0.302 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.94 124.67 47.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 26.8 p -129.02 163.61 25.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.143 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -97.4 122.84 40.9 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.945 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.437 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 0.7 OUTLIER -69.88 168.01 20.51 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.563 179.863 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.437 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 8.7 Cg_endo -50.58 -25.36 14.49 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.484 2.123 . . . . 0.0 112.055 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.63 4.77 53.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.318 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 67.57 37.28 3.42 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.929 0.395 . . . . 0.0 111.145 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 43.8 mttt -106.97 136.89 19.4 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.433 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.48 117.73 4.13 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.33 2.02 . . . . 0.0 112.334 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -136.01 -154.77 6.98 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.266 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.7 mtmp? -134.13 147.78 50.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.954 0.406 . . . . 0.0 111.109 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 12.5 t -109.8 126.73 54.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.762 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 28.9 m -142.13 157.18 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -51.1 177.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.262 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.1 pp -80.24 -1.73 4.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.626 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -112.61 23.4 13.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.34 -39.5 0.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.977 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.33 128.83 35.97 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.869 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.1 p -71.2 -42.1 69.41 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.077 -0.511 . . . . 0.0 112.164 -179.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 4.1 p-80 -55.96 -33.79 65.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.867 0.365 . . . . 0.0 111.098 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.59 -42.14 82.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.791 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.2 -29.97 70.83 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.126 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.1 -43.4 67.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.428 HG22 ' N ' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -67.36 -34.55 69.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.754 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.428 ' N ' HG22 ' A' ' 95' ' ' ILE . 0.3 OUTLIER -66.35 -31.93 73.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.711 179.827 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -86.02 -31.89 21.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -92.67 162.51 29.11 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.23 -173.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.638 2.226 . . . . 0.0 112.365 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.2 pt -93.3 179.71 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 173.48 138.31 2.61 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.393 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.56 -32.89 71.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.788 0.328 . . . . 0.0 110.795 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.19 -31.35 72.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -68.02 -35.64 78.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.6 -35.5 65.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -73.04 -33.97 66.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.735 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -70.17 -33.94 72.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.844 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.47 -37.82 80.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.795 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 5.2 mttm -71.03 -30.59 66.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.806 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -83.43 -28.44 28.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.1 m -97.1 37.49 1.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 13.4 p -101.04 147.66 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.966 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 76.2 m -96.99 36.71 1.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.987 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 56.98 172.36 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.248 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 83.54 94.2 0.63 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.616 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -50.8 -49.86 15.57 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.462 2.108 . . . . 0.0 112.307 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -103.02 107.55 18.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.806 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 177.64 -36.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 67.6 77.86 0.25 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.761 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 60.7 p -144.74 146.6 32.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 10.5 t -128.01 162.5 33.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 34.9 t -111.69 123.66 50.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.93 0.395 . . . . 0.0 110.744 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 2.0 m -122.56 119.37 30.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.151 0 CA-C-O 118.342 -1.255 . . . . 0.0 112.564 -179.909 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.228 -0.031 0 CA-C-O 120.77 0.319 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.91 124.04 28.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.824 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 17.6 p -124.9 160.08 29.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.976 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -94.03 125.04 38.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.451 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 18.0 p -61.3 168.77 2.72 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.744 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.451 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 58.5 Cg_exo -52.46 -25.97 26.79 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.393 2.062 . . . . 0.0 112.09 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.88 8.11 45.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.095 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.0 m120 70.95 41.28 0.84 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.838 0.351 . . . . 0.0 110.962 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.2 tttm -106.98 138.75 19.9 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.595 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.17 125.38 18.19 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.328 2.019 . . . . 0.0 112.279 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -153.37 -163.15 11.54 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.35 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.7 mttp -133.79 152.54 51.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.668 0.271 . . . . 0.0 110.72 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 50.1 t -109.36 125.84 52.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.53 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.454 ' HB ' ' HD3' ' A' ' 88' ' ' LYS . 2.7 m -138.45 157.33 30.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.27 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.86 -176.9 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.089 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.2 pp -98.7 7.55 8.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.589 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.51 31.97 4.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.594 -179.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.454 ' HD3' ' HB ' ' A' ' 84' ' ' VAL . 0.8 OUTLIER -145.02 -35.1 0.33 Allowed 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.813 179.667 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . 0.435 ' N ' ' HG3' ' A' ' 88' ' ' LYS . 7.6 t -72.02 134.29 45.79 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.841 0.353 . . . . 0.0 110.746 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.41 -33.56 69.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.144 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -59.12 -36.16 74.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.004 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.15 -39.01 79.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.784 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.97 -33.13 75.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.112 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -69.47 -39.02 77.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 11.4 mt -66.91 -34.93 73.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.048 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -69.33 -32.16 71.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -70.41 -30.92 67.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -103.79 93.97 5.8 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.37 156.71 63.56 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.428 2.085 . . . . 0.0 112.267 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.5 mt 61.95 154.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.051 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 121.68 99.31 1.58 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.541 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.1 -23.99 65.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.777 0.322 . . . . 0.0 111.121 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -60.21 -45.86 91.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.261 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -64.95 -31.88 73.33 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.961 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.6 m -71.72 -29.81 64.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 19.8 m -75.61 -33.79 60.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.55 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -70.08 -39.93 75.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.299 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.7 pp -70.52 -34.79 72.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.758 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -30.29 69.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.855 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -77.22 -33.47 56.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.928 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 34.2 t -106.95 43.04 1.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.977 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.4 p -98.79 130.91 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -75.26 63.2 1.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.039 0.447 . . . . 0.0 110.749 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.05 101.15 0.49 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.135 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -152.41 -153.51 6.31 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.544 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.09 -58.78 1.37 Allowed 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.664 2.242 . . . . 0.0 112.285 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -70.72 -179.3 2.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -128.8 160.86 31.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 8.7 m120 60.16 81.24 0.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.943 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 18.2 p -151.67 146.2 25.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.955 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 35.2 t -130.34 160.72 41.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.709 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 1.3 m -111.7 123.81 51.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.994 0.426 . . . . 0.0 110.932 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 55.4 m -119.01 118.93 32.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.597 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.409 -1.217 . . . . 0.0 112.535 -179.851 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.843 0.354 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.41 130.81 34.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.645 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 10.7 t -126.18 151.1 47.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.027 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.3 mp -100.96 123.71 45.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.775 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.541 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 70.0 p -60.77 162.53 11.76 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.467 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.541 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 7.3 Cg_endo -49.45 -25.04 9.8 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.447 2.098 . . . . 0.0 112.174 179.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.71 9.34 43.55 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.391 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 22.9 m-20 70.37 46.8 0.56 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.881 0.372 . . . . 0.0 111.3 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.2 127.99 26.25 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.224 179.44 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -47.94 127.06 14.03 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.43 2.087 . . . . 0.0 112.573 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -151.92 -162.44 10.82 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.433 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.14 152.08 51.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.877 0.37 . . . . 0.0 110.858 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 52.4 t -113.36 125.86 54.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 20.0 m -142.14 157.03 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -57.8 -174.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.789 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -91.36 49.75 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.974 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.0 mttm -166.18 32.1 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.778 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.52 -47.22 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.886 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 4.1 t -60.11 124.11 19.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.982 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 47.8 p -58.5 -33.19 69.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.007 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -66.58 -43.85 83.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.8 mp -61.38 -38.89 88.66 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.863 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.99 -33.39 75.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.049 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -67.92 -42.89 80.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 39.2 mm -66.47 -34.95 73.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.969 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.2 -33.54 75.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.822 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -81.99 -32.13 30.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.79 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.71 170.39 8.14 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.803 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -50.18 157.59 2.9 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.641 2.227 . . . . 0.0 112.32 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 28.6 mm -112.88 155.4 14.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -155.37 161.23 30.37 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.57 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -59.88 -30.91 69.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.876 0.369 . . . . 0.0 110.953 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.16 -33.66 76.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -73.04 -33.79 65.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.6 m -70.81 -31.84 68.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.776 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.6 m -72.45 -34.54 67.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.37 -34.68 76.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 4.6 tt -71.07 -34.98 71.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.52 -32.2 71.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.887 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -77.77 -28.4 50.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.4 p -102.86 41.49 1.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.2 p -95.93 136.15 27.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 8.9 m -94.0 24.77 4.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.2 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 56.16 33.2 21.61 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.817 0.342 . . . . 0.0 111.08 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -58.47 139.59 47.93 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.498 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.54 -36.01 2.47 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.508 2.139 . . . . 0.0 112.345 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -156.97 175.78 13.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.034 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.36 9.32 7.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.512 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 46.14 96.27 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 120.834 0.349 . . . . 0.0 111.582 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.96 162.66 13.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.672 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 20.0 t -144.13 157.35 15.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.328 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 44.4 t -111.86 129.72 56.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.725 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 26.9 m -130.78 119.08 21.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.321 -1.266 . . . . 0.0 112.53 179.926 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.761 0.315 . . . . 0.0 110.623 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.37 125.42 32.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.954 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 30.0 p -124.95 148.07 48.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.822 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.6 mp -93.82 123.05 36.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.439 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 7.2 p -67.38 167.2 16.22 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.828 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.439 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 67.5 Cg_exo -51.54 -25.43 19.43 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.389 2.059 . . . . 0.0 112.077 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.42 9.96 39.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.181 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 66.38 39.41 4.0 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.908 0.385 . . . . 0.0 110.933 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.6 ttmt -99.74 132.05 23.65 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.334 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -58.9 121.27 9.67 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.368 2.046 . . . . 0.0 112.349 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -147.4 -162.32 9.94 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.465 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.93 146.55 52.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.785 0.326 . . . . 0.0 110.816 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 18.7 t -109.79 125.99 53.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.733 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 6.1 m -139.31 155.33 25.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.979 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -55.53 170.15 0.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.5 ' CD1' ' O ' ' A' ' 86' ' ' ILE . 0.1 OUTLIER -82.72 57.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.518 0.675 . . . . 0.0 110.666 179.841 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.35 35.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.829 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.7 tttp -147.65 -46.64 0.17 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.864 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -72.27 123.22 22.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.964 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 18.5 p -59.3 -29.99 68.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.957 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 15.1 t-160 -58.06 -38.87 77.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.013 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.05 -39.02 83.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.779 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.09 -33.47 76.1 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.024 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -70.9 -38.28 73.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.83 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 12.8 mt -70.67 -34.86 58.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.011 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -70.12 -32.49 70.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -30.96 71.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.773 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -112.3 97.4 39.36 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.828 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -84.16 31.17 0.51 Allowed 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 123.03 2.487 . . . . 0.0 112.715 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.9 mt -128.28 135.05 63.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.769 0.319 . . . . 0.0 110.989 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 109.81 113.54 3.55 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.616 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -55.16 -23.78 23.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.747 0.308 . . . . 0.0 111.183 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -55.67 -27.98 52.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.152 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -65.93 -44.02 86.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.877 0.37 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 77.1 m -72.01 -31.57 66.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.648 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -73.98 -33.9 64.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.824 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.37 -36.96 71.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.0 tp -72.06 -40.63 68.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.786 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -71.18 -29.58 65.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.098 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -87.41 -29.03 21.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.111 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.3 p -110.59 44.12 1.31 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.136 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.4 p -97.89 134.79 34.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.128 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.3 m -98.34 26.32 5.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.079 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 56.43 77.32 0.25 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -130.78 76.9 0.4 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.531 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.64 -49.57 9.96 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.613 2.209 . . . . 0.0 112.233 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -110.9 -28.26 8.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.158 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -85.03 -31.6 23.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.747 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 62.16 100.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.932 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 75.5 m -126.9 157.13 40.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 15.9 t -141.78 154.97 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.968 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 39.9 t -111.83 123.89 51.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.631 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 14.8 m -109.94 131.66 54.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.819 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.09 0 CA-C-O 118.397 -1.224 . . . . 0.0 112.531 179.893 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.458 -0.043 0 CA-C-O 120.785 0.326 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.4 125.02 36.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.714 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 41.2 t -126.06 149.98 48.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.231 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.6 123.33 40.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.614 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.488 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 1.5 p -65.32 166.26 14.4 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.708 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.488 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 9.6 Cg_endo -50.8 -25.35 15.25 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.426 2.084 . . . . 0.0 111.889 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.45 10.07 39.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.214 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 66.18 39.67 4.15 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.953 0.406 . . . . 0.0 111.207 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.22 136.16 19.49 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.246 179.545 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -58.19 120.94 9.15 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.46 2.107 . . . . 0.0 112.484 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -142.99 -159.4 7.93 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.199 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.88 152.1 51.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.861 0.362 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 50.1 t -109.8 126.06 53.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.775 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 28.7 m -139.92 157.02 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.071 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -54.84 -178.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.16 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.2 pp -86.89 5.64 3.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.563 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.3 pttt -124.78 23.5 7.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.991 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.95 -40.35 1.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.3 t -69.77 134.17 48.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 68.1 p -65.81 -32.27 73.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.079 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.3 m170 -58.83 -33.79 70.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.003 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -69.07 -40.32 78.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.15 -33.99 77.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.121 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -67.04 -38.71 86.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.985 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 12.8 mt -68.78 -36.7 75.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.017 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.21 -31.5 68.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.92 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -82.38 -39.62 22.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.054 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -178.61 100.02 0.21 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.004 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -80.58 109.88 2.33 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 122.281 1.987 . . . . 0.0 112.347 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.1 pt -101.62 136.72 32.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.053 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 66.58 114.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.509 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -59.53 -29.13 67.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.776 0.322 . . . . 0.0 110.942 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.8 p30 -58.75 -30.89 67.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.982 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -72.71 -36.06 67.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.1 m -69.99 -33.28 71.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.799 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.7 m -71.42 -34.09 70.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.663 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -66.41 -37.93 86.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.72 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.42 -45.87 89.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.582 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -31.48 72.36 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.729 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.5 -26.99 64.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.798 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 48.5 m -96.23 35.73 1.42 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.961 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 11.1 p -70.95 127.26 32.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.032 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.56 63.94 0.28 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.999 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.92 -175.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.075 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 76.61 -136.72 19.71 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.469 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -50.51 134.35 39.21 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.45 2.1 . . . . 0.0 112.367 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 61.26 169.91 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -140.07 179.87 6.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 26.8 m120 59.62 30.5 20.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.054 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.4 m -118.85 164.34 15.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 17.6 t -133.85 160.45 41.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.994 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 86.1 m -111.7 123.84 51.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.813 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 15.7 m -116.0 119.01 34.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.09 0 CA-C-O 118.396 -1.224 . . . . 0.0 112.508 -179.945 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.691 0.282 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.49 128.97 45.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.713 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 15.2 p -133.73 166.96 21.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.23 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.2 mp -98.05 122.96 41.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.734 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.469 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 1.1 p -66.36 166.63 16.18 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.689 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.469 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 8.5 Cg_endo -50.32 -25.7 14.2 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.563 2.176 . . . . 0.0 111.987 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.76 7.14 45.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.142 179.698 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 65.62 39.66 4.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.97 0.414 . . . . 0.0 111.117 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -108.71 135.71 20.05 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.328 179.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -52.85 123.33 12.8 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.277 1.985 . . . . 0.0 112.302 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -148.14 -155.74 6.77 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.205 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.2 pttm -134.07 149.12 51.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.891 0.377 . . . . 0.0 111.025 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 52.0 t -109.79 125.98 53.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.608 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 30.1 m -141.53 157.15 21.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.883 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -52.91 -178.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.8 pp -87.32 5.07 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.511 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.7 ptmt -127.83 23.02 6.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.031 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -121.96 -38.11 2.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.828 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.5 t -75.76 113.21 12.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.723 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.7 m -57.13 -39.43 75.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.078 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.8 -37.16 83.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.706 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.3 tp -65.5 -39.49 91.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.89 -34.01 77.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -66.09 -43.52 87.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.432 HD13 HG23 ' A' ' 95' ' ' ILE . 37.3 mm -65.73 -36.44 77.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.069 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.11 -31.06 68.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.953 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -85.96 -32.34 21.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -124.12 72.41 55.56 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.078 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -77.16 108.55 2.65 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.629 2.219 . . . . 0.0 112.398 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 9.7 pt -126.62 119.08 52.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.265 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 74.66 126.64 0.16 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.59 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.46 -24.02 42.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.79 0.329 . . . . 0.0 111.214 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -57.42 -30.54 65.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.104 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 105' ' ' THR . 0.0 OUTLIER -73.59 -31.79 63.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.962 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.419 ' N ' ' HG3' ' A' ' 104' ' ' GLU . 2.3 m -72.25 -37.13 69.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.987 0.423 . . . . 0.0 110.865 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 24.5 m -70.25 -34.0 72.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.655 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -67.23 -34.97 78.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.829 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.4 tt -69.97 -38.54 76.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.759 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.82 -31.97 68.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.785 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -69.87 -29.18 66.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.986 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 11.5 p -96.92 37.32 1.31 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.3 p -87.27 128.56 39.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.201 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.78 64.05 0.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.105 0.479 . . . . 0.0 110.856 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -74.37 99.49 3.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.078 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 168.31 -75.75 0.12 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.529 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -70.01 -27.97 24.64 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.537 2.158 . . . . 0.0 112.228 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -162.41 167.88 22.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -81.6 -64.74 1.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -74.52 74.8 1.96 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.83 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 58.8 m -143.93 147.61 34.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 10.0 t -131.49 162.06 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 1.3 m -111.8 123.89 51.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.884 0.374 . . . . 0.0 111.156 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 85.4 m -122.21 118.87 29.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.594 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.091 0 CA-C-O 118.372 -1.238 . . . . 0.0 112.54 -179.875 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.4 tp . . . . . 0 CA--C 1.526 0.055 0 CA-C-O 120.832 0.348 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.87 127.74 32.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.718 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 43.4 t -124.87 156.11 38.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.184 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.4 mp -105.53 126.15 51.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.928 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.471 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 35.8 p -61.98 168.55 3.57 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.523 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.471 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 71.9 Cg_exo -51.62 -24.8 18.21 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.302 2.002 . . . . 0.0 112.144 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.12 9.69 42.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 70.45 36.38 1.74 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.878 0.37 . . . . 0.0 110.957 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.84 124.14 57.49 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.638 179.682 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.11 125.48 17.46 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.412 2.075 . . . . 0.0 112.315 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -151.52 -156.82 7.6 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.528 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -131.55 152.21 50.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.816 0.341 . . . . 0.0 110.871 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 43.3 t -109.9 129.52 55.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.995 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 21.7 m -142.03 157.08 20.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.043 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -55.4 -174.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.5 tp -97.39 27.61 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.152 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.2 mtpp -144.64 29.38 1.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -134.57 -52.25 0.81 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.969 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 2.7 t -58.14 126.62 28.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.926 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -64.9 -31.6 72.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.937 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 -59.72 -33.42 71.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.83 -39.65 76.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.32 -32.12 73.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.175 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.61 -42.95 70.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.186 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -69.62 -34.85 63.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.717 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -68.97 -30.94 69.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.709 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.51 -31.7 67.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.842 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -165.99 81.43 1.08 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -73.97 137.53 24.37 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.588 2.192 . . . . 0.0 112.343 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.435 HD11 HG21 ' A' ' 100' ' ' ILE . 0.2 OUTLIER -151.1 169.51 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.065 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 64.46 112.82 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.448 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -60.27 -31.0 69.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.798 0.332 . . . . 0.0 111.003 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -72.11 -30.95 65.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.012 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -72.0 -40.75 68.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.017 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 9.8 t -71.0 -33.16 70.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 57.3 m -73.69 -34.99 65.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -69.83 -34.02 73.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.691 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.3 tt -66.21 -40.97 90.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.533 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -71.0 -30.12 66.26 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.606 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -72.63 -22.03 61.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.926 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.54 32.32 1.41 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.012 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.9 p -77.27 144.86 10.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-O 120.989 0.423 . . . . 0.0 110.708 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.4 15.86 8.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.794 -179.583 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 35.3 36.15 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.934 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.4 ' HA2' ' HD3' ' A' ' 116' ' ' PRO . . . -106.27 146.93 16.13 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.85 -179.492 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.4 ' HD3' ' HA2' ' A' ' 115' ' ' GLY . 24.3 Cg_exo -63.18 -148.65 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.663 2.242 . . . . 0.0 112.1 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 79.01 -68.95 0.13 Allowed 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.074 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -166.08 -52.39 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.885 0.374 . . . . 0.0 110.625 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 15.8 t30 179.73 106.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.2 p -96.68 135.47 38.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.47 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 15.2 t -119.99 162.15 18.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.244 -179.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 95.6 m -111.51 123.91 51.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.616 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 61.7 m -122.38 118.86 29.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.999 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 CA-C-O 118.408 -1.218 . . . . 0.0 112.516 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.526 0.022 0 CA-C-O 120.764 0.316 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.85 127.4 34.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.822 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 42.9 t -124.97 155.54 39.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.032 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mp -100.81 122.94 44.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.783 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.497 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 70.4 p -65.54 168.17 8.98 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.637 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.497 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 74.4 Cg_exo -51.5 -27.91 26.48 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.319 2.012 . . . . 0.0 112.064 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.52 7.33 43.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.091 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 16.9 m120 67.32 39.78 2.9 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.842 0.353 . . . . 0.0 111.177 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.1 mmtm -104.63 132.75 20.64 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.29 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -50.46 126.39 17.67 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.392 2.061 . . . . 0.0 112.521 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -147.08 -159.28 8.23 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.285 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.02 152.05 51.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.766 0.317 . . . . 0.0 111.003 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 52.0 t -111.8 129.1 56.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.984 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 5.5 m -141.92 156.96 20.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.972 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -55.05 177.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -91.68 48.26 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.111 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -170.1 34.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.471 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.2 tttm -143.65 -45.7 0.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 18.8 t -59.57 118.37 5.99 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 29.2 p -58.9 -32.88 69.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.017 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 7.2 m80 -63.95 -37.21 86.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.24 -37.94 81.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.756 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.2 -33.47 75.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.111 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -70.6 -40.01 73.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 23.3 mt -67.07 -34.97 73.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.881 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -64.55 -36.61 84.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.671 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.27 -35.7 40.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.766 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.42 ' CB ' ' HD2' ' A' ' 99' ' ' PRO . 1.1 m-20 -62.93 166.76 7.16 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.737 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.42 ' HD2' ' CB ' ' A' ' 98' ' ' ASP . 9.8 Cg_endo -51.1 120.0 6.15 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.566 2.177 . . . . 0.0 112.087 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.4 tt -83.15 142.62 13.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 CA-C-O 121.185 0.517 . . . . 0.0 111.029 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -170.04 -176.76 39.89 Favored Glycine 0 N--CA 1.451 -0.317 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.408 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -59.83 -30.3 68.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.818 0.342 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -69.32 -31.78 70.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.957 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.84 -37.02 83.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 18.6 m -72.89 -33.98 66.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.707 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 19.3 m -71.52 -34.06 69.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.759 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -67.55 -35.25 78.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.5 mp -71.91 -36.86 70.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.867 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.43 ' HA ' ' CG1' ' A' ' 112' ' ' VAL . 2.9 tptp -69.85 -31.51 69.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.919 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -72.62 -31.02 64.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 50.6 m -102.59 41.1 1.27 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.43 ' CG1' ' HA ' ' A' ' 109' ' ' LYS . 35.4 m -83.3 143.19 12.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.066 0.46 . . . . 0.0 111.001 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.1 24.61 5.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.189 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 55.07 62.39 2.52 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.977 0.417 . . . . 0.0 111.349 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -165.07 82.09 0.11 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.522 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -79.98 2.35 8.5 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.679 2.253 . . . . 0.0 112.808 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -93.79 -32.63 13.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.829 0.347 . . . . 0.0 111.151 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -111.63 -15.08 13.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.327 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 66.49 77.83 0.27 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.933 0.397 . . . . 0.0 110.831 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 28.0 t -107.26 170.66 7.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.847 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 21.6 t -145.47 157.5 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.075 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 49.1 m -112.03 125.19 53.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.81 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 55.6 m -123.57 124.95 43.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.347 -1.252 . . . . 0.0 112.509 -179.961 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.0 tp . . . . . 0 C--O 1.228 -0.037 0 CA-C-O 120.674 0.273 . . . . 0.0 110.617 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.28 121.7 36.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.033 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 15.1 p -125.02 166.85 15.62 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.017 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.5 122.92 38.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.431 ' CB ' ' HD2' ' A' ' 76' ' ' PRO . 0.5 OUTLIER -66.14 167.88 10.97 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.741 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.431 ' HD2' ' CB ' ' A' ' 75' ' ' THR . 10.0 Cg_endo -51.58 -25.3 19.32 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.469 2.112 . . . . 0.0 111.989 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.01 8.59 43.29 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.071 179.699 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.6 m120 68.33 38.81 2.41 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.823 0.344 . . . . 0.0 111.048 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.69 133.58 20.2 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.492 179.595 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -56.84 120.02 7.65 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.354 2.036 . . . . 0.0 112.243 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -143.3 -150.8 5.36 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.361 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.05 147.39 50.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.79 0.329 . . . . 0.0 110.97 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 40.6 t -109.84 125.96 53.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.738 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 4.7 m -137.81 157.27 32.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.868 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -52.31 -178.09 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.117 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.1 tp -93.84 23.39 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.417 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -145.01 33.88 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.947 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -141.15 -49.48 0.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.174 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 36.9 t -54.17 129.22 34.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.206 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.7 t -69.0 -35.72 77.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.842 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -60.57 -38.37 84.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.654 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.42 -40.22 96.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.78 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.06 -34.06 77.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.936 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -64.97 -41.95 94.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.826 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 30.7 mm -69.47 -37.38 74.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.884 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -70.03 -32.81 71.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.808 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -69.62 -31.66 69.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.951 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -88.79 171.15 9.6 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -51.57 178.1 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.626 2.217 . . . . 0.0 112.29 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.9 mt -122.5 150.5 26.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.049 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -168.38 169.05 41.34 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.527 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -60.87 -34.3 74.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.834 0.35 . . . . 0.0 110.87 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.66 -33.02 74.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.789 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.71 -31.93 65.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.782 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.65 -34.86 74.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.4 m -71.71 -37.54 70.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.805 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -68.21 -33.98 75.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.38 -43.52 73.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.79 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.25 -26.17 68.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -83.82 -27.1 29.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.08 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.59 46.37 1.63 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.092 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 9.3 p -125.77 149.75 30.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.187 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.1 m -90.24 51.01 1.94 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.697 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -70.73 101.99 2.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -169.19 -77.98 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.51 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -72.27 -28.67 15.05 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.583 2.188 . . . . 0.0 112.299 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -141.24 -176.81 4.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.935 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.31 -24.66 21.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -92.65 -138.66 0.19 Allowed 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.477 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 66.48 142.08 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.853 0.359 . . . . 0.0 110.89 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 12.3 t -139.36 159.24 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.198 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 1.3 m -111.89 123.96 51.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.769 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 86.5 m -132.33 119.0 20.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.815 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.174 0 CA-C-O 118.362 -1.243 . . . . 0.0 112.538 -179.975 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.2 tt . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.856 0.36 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.27 121.97 43.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.796 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 27.8 p -124.84 153.93 41.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.973 0.416 . . . . 0.0 111.207 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.7 mp -93.85 122.83 36.75 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.753 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.8 p -67.08 166.26 21.3 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.755 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -49.61 -36.95 42.22 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.374 2.049 . . . . 0.0 112.077 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.442 ' O ' ' CB ' ' A' ' 78' ' ' ASN . 14.8 p30 -74.53 -21.02 59.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.716 179.411 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.442 ' CB ' ' O ' ' A' ' 77' ' ' ASP . 33.9 m-80 89.0 45.77 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.948 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.6 tttm -114.11 135.94 22.16 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.834 179.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_exo -50.54 123.86 12.2 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.132 1.888 . . . . 0.0 112.606 -179.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -142.06 -157.79 7.29 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.126 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 53.6 pttt -134.16 147.26 50.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.881 0.372 . . . . 0.0 111.039 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.4 t -109.71 125.53 52.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.548 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 21.4 m -142.15 157.13 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.246 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -56.35 -176.0 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.181 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.424 HG22 HD12 ' A' ' 86' ' ' ILE . 18.2 pt -88.06 3.81 5.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.503 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -123.8 26.95 7.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.969 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 25.5 tptp -134.51 -42.15 0.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.799 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 4.5 t -69.13 116.73 9.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.949 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 16.4 m -59.29 -29.99 67.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.971 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.66 -38.8 78.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.78 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -62.09 -41.24 97.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.736 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.99 -34.53 78.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.893 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -67.36 -43.31 81.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.907 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 33.9 mm -66.3 -34.94 73.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.827 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.28 -31.36 72.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.733 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -77.12 -30.84 55.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.72 119.99 72.48 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.82 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.75 106.41 0.17 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.549 2.166 . . . . 0.0 112.322 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.4 pp -153.16 158.79 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.183 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -132.9 -81.72 0.19 Allowed Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.554 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -58.91 -32.08 69.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.891 0.377 . . . . 0.0 110.976 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -60.13 -30.04 69.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.964 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -72.47 -34.36 67.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 11.3 m -69.43 -37.94 77.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.61 -34.44 67.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.761 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -71.96 -33.97 68.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.733 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.02 -38.08 75.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm -71.12 -29.76 65.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.964 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 12.2 m-20 -88.71 -30.35 19.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.082 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 64.0 m -101.22 39.0 1.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.082 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.9 p -105.75 147.96 10.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.016 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -96.25 33.51 1.75 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.993 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 54.55 40.82 32.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.223 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 59.98 74.33 0.38 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.421 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.33 -43.47 3.0 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.461 2.107 . . . . 0.0 112.334 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -140.91 -69.17 0.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -149.94 -50.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.829 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -143.59 107.88 4.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.806 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.1 m -152.34 172.76 15.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.017 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 12.3 t -142.79 157.74 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 40.5 t -111.64 124.81 53.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.694 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 13.0 m -121.36 123.79 43.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.874 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.371 -1.238 . . . . 0.0 112.473 179.956 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.791 0.329 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.56 127.13 47.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.787 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 24.1 p -125.21 161.93 25.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.874 0.369 . . . . 0.0 111.132 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.2 mp -102.96 122.92 45.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.856 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.481 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 2.3 p -65.06 165.39 16.52 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.685 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.481 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 9.6 Cg_endo -50.8 -25.02 14.49 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.562 2.175 . . . . 0.0 112.111 179.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.52 9.2 43.05 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.183 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.9 m120 67.63 40.67 2.47 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.839 0.352 . . . . 0.0 111.106 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.15 129.19 25.6 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.368 179.448 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.14 123.71 13.19 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.199 1.933 . . . . 0.0 112.437 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -145.46 -159.19 8.01 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.385 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 27.3 mmtt -133.72 146.56 50.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.909 0.385 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 53.6 t -109.87 126.9 54.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.825 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.3 m -141.24 157.09 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.981 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -50.66 176.43 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.195 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -83.22 0.68 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.569 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -123.14 22.55 9.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.966 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.84 -38.45 2.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.756 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 2.9 t -72.9 115.12 11.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.715 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.27 -33.57 67.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.004 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.24 -38.19 82.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.946 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.72 -38.09 76.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.71 179.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.25 -32.78 74.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.224 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.17 -43.57 73.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.047 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -69.75 -34.73 62.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.682 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -69.08 -32.85 72.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.716 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -67.12 -31.73 72.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.739 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.405 ' CB ' ' HD2' ' A' ' 99' ' ' PRO . 2.4 m-20 -102.84 166.01 12.67 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.739 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.405 ' HD2' ' CB ' ' A' ' 98' ' ' ASP . 9.4 Cg_endo -52.36 149.57 22.63 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.573 2.182 . . . . 0.0 112.11 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.8 mp -103.92 142.27 17.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.33 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -134.39 -167.3 11.45 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.388 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -67.07 -31.69 72.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.732 0.301 . . . . 0.0 110.971 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -64.31 -29.94 71.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -71.96 -37.64 69.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.7 m -70.66 -38.52 73.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.827 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 64.3 m -69.25 -33.92 74.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.758 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.15 -41.72 73.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.72 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.21 -36.47 84.19 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.841 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 20.9 mtpt -63.54 -39.2 93.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.284 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.412 ' OD1' ' N ' ' A' ' 111' ' ' SER . 22.1 p30 -88.19 -27.49 21.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.208 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.412 ' N ' ' OD1' ' A' ' 110' ' ' ASN . 0.2 OUTLIER -97.01 32.15 2.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.007 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.2 p -99.14 143.36 13.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.937 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 98.0 m -96.62 35.39 1.51 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.956 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 57.12 -170.85 0.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.174 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 86.21 108.98 0.78 Allowed Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.451 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -50.65 -61.49 0.55 Allowed 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.524 2.149 . . . . 0.0 112.316 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.8 pm0 -118.85 117.36 28.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.824 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.3 t0 178.91 -35.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 68.82 86.58 0.13 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -141.99 163.81 31.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.778 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 20.6 t -144.94 158.4 14.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.044 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 50.3 t -111.74 123.75 50.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.785 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 13.2 m -117.91 119.04 33.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.8 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.532 179.926 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.5 tp . . . . . 0 N--CA 1.458 -0.042 0 CA-C-O 120.773 0.32 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.73 131.56 37.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.859 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.427 ' HB2' ' HB2' ' A' ' 83' ' ' CYS . 13.4 t -124.95 158.99 32.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.237 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.5 mp -105.55 125.57 51.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.796 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.482 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 30.6 p -60.95 168.85 2.35 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.623 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.482 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 64.2 Cg_exo -52.04 -24.73 20.4 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.247 1.965 . . . . 0.0 112.029 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -98.02 9.27 43.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.181 179.619 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 71.36 35.83 1.45 Allowed 'General case' 0 C--N 1.334 -0.097 0 CA-C-O 121.002 0.43 . . . . 0.0 110.931 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -96.79 142.5 24.63 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.451 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_endo -58.16 121.99 10.94 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.376 2.051 . . . . 0.0 112.266 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -141.16 -158.8 7.67 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.388 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.04 152.18 51.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.885 0.374 . . . . 0.0 111.116 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.427 ' HB2' ' HB2' ' A' ' 73' ' ' CYS . 41.0 t -110.31 125.65 53.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.814 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 29.1 m -142.39 157.11 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.961 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.02 -170.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.78 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.447 HD13 HG23 ' A' ' 86' ' ' ILE . 18.2 pt -87.37 6.42 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.58 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -116.38 25.73 10.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.4 tttp -141.82 -43.58 0.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.102 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -54.84 125.43 20.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.012 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 27.0 p -59.57 -30.22 68.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -57.54 -33.19 67.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.929 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.78 -39.6 76.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.785 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.1 -34.36 78.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.128 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -67.44 -38.46 84.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 9.7 mt -67.53 -34.99 71.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.0 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -35.56 79.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.95 -31.86 21.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -156.92 88.47 2.67 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.948 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -81.71 55.9 5.7 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 122.442 2.095 . . . . 0.0 112.533 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.7 tt -112.68 145.85 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.972 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 106.6 103.09 2.85 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.502 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.34 -27.57 69.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.742 0.306 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -71.94 -28.9 63.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.983 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -69.58 -39.17 77.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.031 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.8 t -71.42 -34.31 70.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.79 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 8.9 m -71.59 -33.83 69.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.723 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.415 ' CE2' ' HG2' ' A' ' 76' ' ' PRO . 1.2 t80 -69.5 -34.08 73.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.1 tp -68.34 -38.64 81.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.93 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.5 -30.32 68.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -83.28 -25.19 31.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.964 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 61.3 p -102.55 40.49 1.35 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.952 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 19.6 t -91.32 158.94 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.941 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.79 27.13 5.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.141 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -179.37 153.75 0.6 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.146 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -83.12 -64.4 1.66 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.542 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.95 -45.06 0.5 Allowed 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.65 2.233 . . . . 0.0 112.391 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.63 166.39 15.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -147.73 29.38 0.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.084 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -107.26 -24.98 11.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.906 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 76.1 p -102.36 125.52 49.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.887 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 15.8 t -119.83 161.86 18.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.11 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 92.4 m -111.62 123.89 51.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.83 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.8 m -123.97 119.01 28.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.765 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.477 -1.179 . . . . 0.0 112.56 -179.978 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.0 tp . . . . . 0 N--CA 1.456 -0.172 0 CA-C-O 120.893 0.378 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.59 126.59 38.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.976 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 15.2 t -124.95 158.74 32.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.034 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.1 mp -107.39 123.35 48.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.783 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.652 HG23 ' O ' ' A' ' 79' ' ' LYS . 11.7 p -60.8 169.27 2.01 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.832 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.485 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 53.4 Cg_exo -52.86 -27.36 34.53 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.389 2.059 . . . . 0.0 111.881 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.96 7.16 46.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.095 179.568 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 19.0 m-20 72.72 37.64 0.83 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.864 0.364 . . . . 0.0 110.94 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.652 ' O ' HG23 ' A' ' 75' ' ' THR . 6.0 tptt -99.7 138.28 20.37 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.461 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_exo -51.53 126.5 19.69 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.425 2.083 . . . . 0.0 112.469 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -147.9 -166.21 12.51 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.179 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.46 151.02 51.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.784 0.326 . . . . 0.0 110.933 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 44.7 t -109.9 125.94 53.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.83 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.403 ' HB ' ' HG3' ' A' ' 88' ' ' LYS . 15.2 m -135.63 157.35 39.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.172 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.409 ' CB ' ' HD3' ' A' ' 88' ' ' LYS . 0.9 OUTLIER -52.06 -177.35 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.304 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.911 HG22 HG23 ' A' ' 121' ' ' VAL . 1.0 OUTLIER -99.07 35.1 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.278 0.561 . . . . 0.0 111.175 -179.695 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.3 pttm -154.23 46.7 0.59 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.434 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.409 ' HD3' ' CB ' ' A' ' 85' ' ' ASN . 0.9 OUTLIER -164.02 -43.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.376 179.667 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 8.6 t -57.43 130.68 47.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.824 0.345 . . . . 0.0 110.877 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 72.4 p -58.39 -34.54 70.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.069 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.589 ' CE1' HD11 ' A' ' 95' ' ' ILE . 63.1 t-80 -59.58 -36.59 76.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.907 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.443 HD21 HG21 ' A' ' 121' ' ' VAL . 1.2 mm? -70.15 -38.82 75.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.715 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.09 -32.99 74.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.049 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -69.69 -39.12 77.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.589 HD11 ' CE1' ' A' ' 91' ' ' HIS . 14.2 mt -70.69 -37.36 68.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.015 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -70.2 -30.92 68.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.812 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -83.33 -33.72 25.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.019 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.34 161.55 24.92 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.979 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.02 162.06 4.35 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.488 2.125 . . . . 0.0 112.271 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 16.0 tt -113.18 151.34 15.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.989 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -151.88 175.39 30.66 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.459 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -66.82 -34.18 77.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.878 0.37 . . . . 0.0 110.987 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -70.01 -33.06 71.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -74.8 -32.05 61.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.9 m -73.49 -33.37 64.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.1 m -72.87 -38.55 66.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -72.2 -34.19 68.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.652 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 9.7 tt -72.1 -34.95 69.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.54 ' O ' HG23 ' A' ' 112' ' ' VAL . 0.1 OUTLIER -70.27 -30.61 67.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 17.5 m-20 -78.68 -26.64 44.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.934 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.3 p -97.24 38.47 1.25 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.863 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 109' ' ' LYS . 17.6 t -101.49 159.73 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.483 ' N ' HG12 ' A' ' 112' ' ' VAL . 0.1 OUTLIER -80.18 58.16 2.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.89 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.225 -179.971 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 . . . . . 0 N--CA 1.461 0.087 0 CA-C-O 120.791 0.329 . . . . 0.0 111.333 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -143.85 158.87 43.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.069 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.911 HG23 HG22 ' A' ' 86' ' ' ILE . 12.1 t -139.14 163.05 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.758 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' CYS . . . . . 0.498 ' N ' HG12 ' A' ' 121' ' ' VAL . 16.4 m -111.62 123.92 51.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.887 0.375 . . . . 0.0 110.691 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 10.3 m -119.21 118.86 32.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.82 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' GLY . . . . . 0.423 ' HA3' HG22 ' A' ' 75' ' ' THR . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.412 -1.216 . . . . 0.0 112.552 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.839 0.352 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.9 128.51 33.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.966 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 19.7 p -124.87 159.34 31.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.035 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -101.82 122.91 44.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.555 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 72.6 p -65.6 168.19 9.06 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.485 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.555 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 76.1 Cg_exo -51.56 -27.64 26.0 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.207 1.938 . . . . 0.0 112.087 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.44 7.17 44.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.104 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 68.14 38.73 2.58 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.848 0.356 . . . . 0.0 111.118 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.43 128.58 32.65 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.406 179.45 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.18 121.99 10.84 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.321 2.014 . . . . 0.0 112.404 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -148.2 -158.3 7.9 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.447 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.1 mtpm? -133.39 146.09 50.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.688 0.28 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 48.5 t -109.92 125.92 53.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.962 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 15.6 m -127.54 156.07 39.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.077 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -56.45 -175.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.828 HD13 HG23 ' A' ' 121' ' ' VAL . 16.5 mm -87.8 51.84 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.143 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.2 ptmt -171.42 35.62 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.9 tttt -151.36 -44.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.083 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -50.26 137.89 17.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.9 m -58.55 -29.98 66.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.844 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -60.78 -32.15 71.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.477 ' O ' HG22 ' A' ' 95' ' ' ILE . 3.7 mm? -65.7 -44.16 86.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.929 0.395 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.53 -35.02 79.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.018 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -71.02 -41.9 70.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.054 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.477 HG22 ' O ' ' A' ' 92' ' ' LEU . 2.2 tp -68.73 -34.83 66.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.012 0.434 . . . . 0.0 110.519 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -62.55 -32.0 72.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.489 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -72.42 -9.88 59.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.295 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 t70 70.02 66.32 0.45 Allowed Pre-proline 0 C--O 1.232 0.156 0 CA-C-O 120.792 0.33 . . . . 0.0 110.836 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -89.26 -167.73 0.29 Allowed 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 123.004 2.469 . . . . 0.0 112.527 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.9 tt -129.46 144.19 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.784 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 133.48 106.65 0.97 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.462 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -67.07 -30.99 71.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.856 0.36 . . . . 0.0 111.059 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -59.73 -30.92 69.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -71.07 -36.65 72.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.68 -36.46 67.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.814 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.6 m -71.56 -33.89 69.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.688 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -68.5 -34.43 75.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.7 mt -68.75 -39.82 80.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -30.77 67.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.907 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -82.78 -28.73 30.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.052 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.36 37.81 1.32 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.99 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.1 p -92.59 131.38 39.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.166 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.2 m -71.42 63.73 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.81 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.052 -179.88 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 24.8 m-20 . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.873 0.368 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.491 ' N ' HD11 ' A' ' 86' ' ' ILE . 70.0 m -159.23 143.19 15.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.828 HG23 HD13 ' A' ' 86' ' ' ILE . 79.7 t -130.1 157.88 42.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' CYS . . . . . 0.467 ' N ' HG12 ' A' ' 121' ' ' VAL . 1.3 m -111.89 128.9 56.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.991 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 5.5 m -126.31 118.98 26.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.757 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.436 -1.202 . . . . 0.0 112.496 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.764 0.316 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.34 130.4 34.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.711 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 22.3 t -124.95 158.09 34.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.082 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -105.89 125.62 51.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.866 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.54 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 31.0 p -62.42 168.38 4.19 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.688 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.54 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 72.6 Cg_exo -51.81 -24.99 19.79 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.367 2.045 . . . . 0.0 112.082 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.48 9.97 41.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 21.2 m-20 69.71 38.14 1.74 Allowed 'General case' 0 C--N 1.334 -0.103 0 CA-C-O 120.819 0.342 . . . . 0.0 111.013 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.417 ' O ' HG23 ' A' ' 75' ' ' THR . 0.2 OUTLIER -99.16 133.39 22.14 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.508 179.631 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -51.76 125.82 18.07 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.342 2.028 . . . . 0.0 112.448 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -147.32 -162.19 9.85 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.884 -0.675 . . . . 0.0 112.327 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -134.0 152.0 51.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.885 0.374 . . . . 0.0 110.996 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 50.6 t -109.85 125.92 53.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.825 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 18.2 m -140.11 157.05 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.073 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -51.75 178.57 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.302 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.435 ' HA ' HD22 ' A' ' 92' ' ' LEU . 1.4 pp -85.5 3.51 3.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.495 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.3 ptmt -126.15 22.44 7.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.068 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.26 -37.7 2.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.772 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' CYS . . . . . 0.44 ' HB3' HD12 ' A' ' 92' ' ' LEU . 2.6 t -73.34 126.14 29.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.793 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.9 t -60.44 -33.88 73.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.048 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -61.36 -38.85 88.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.897 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.744 ' HG ' HD21 ' A' ' 108' ' ' LEU . 0.2 OUTLIER -68.28 -40.32 81.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.778 179.898 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.07 -32.46 74.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.59 -38.09 77.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.894 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.531 HD12 ' HA ' ' A' ' 92' ' ' LEU . 11.3 mt -70.51 -37.19 69.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.021 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -70.14 -30.93 68.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.956 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -75.16 -32.16 61.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.011 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -123.52 104.92 33.67 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.941 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.18 62.23 2.59 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.475 2.117 . . . . 0.0 112.286 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.8 pp -148.12 173.86 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.075 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 79.69 81.05 0.77 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.419 ' O ' HG22 ' A' ' 105' ' ' THR . 2.3 mt-10 -62.82 -31.67 72.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.834 0.349 . . . . 0.0 110.949 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -72.11 -27.93 62.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.044 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -73.5 -40.43 64.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.032 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.419 HG22 ' O ' ' A' ' 102' ' ' GLU . 12.8 t -72.12 -29.98 64.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 34.9 m -76.02 -35.68 59.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.77 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.402 ' CE1' ' HG2' ' A' ' 76' ' ' PRO . 1.7 t80 -69.94 -33.86 72.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.611 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.744 HD21 ' HG ' ' A' ' 92' ' ' LEU . 10.8 tp -66.17 -38.85 89.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.413 ' HA ' ' CG1' ' A' ' 112' ' ' VAL . 0.0 OUTLIER -71.02 -31.03 67.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 179.835 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -75.37 -29.19 59.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.748 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.1 t -103.3 41.85 1.22 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.68 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.413 ' CG1' ' HA ' ' A' ' 109' ' ' LYS . 28.1 m -89.86 146.0 6.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.72 62.54 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.895 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.091 179.961 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 9.0 m120 . . . . . 0 N--CA 1.462 0.135 0 CA-C-O 120.678 0.275 . . . . 0.0 111.378 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 69.7 m -135.68 160.92 37.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.858 0.361 . . . . 0.0 111.186 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.49 HG12 ' N ' ' A' ' 122' ' ' CYS . 13.4 t -131.66 161.58 40.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.937 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' CYS . . . . . 0.49 ' N ' HG12 ' A' ' 121' ' ' VAL . 78.4 m -111.7 123.87 51.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.794 0.33 . . . . 0.0 111.13 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 75.7 m -122.35 118.85 29.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.763 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.389 -1.228 . . . . 0.0 112.516 -179.986 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.6 tp . . . . . 0 C--O 1.227 -0.105 0 CA-C-O 120.779 0.323 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.93 123.23 32.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.733 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 19.8 p -125.0 152.95 43.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.087 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.87 122.83 36.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.835 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.528 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 2.2 p -67.62 164.93 34.47 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.736 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.528 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 9.6 Cg_endo -51.06 -25.68 17.16 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.528 2.152 . . . . 0.0 111.918 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.94 9.21 41.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.109 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.3 m120 64.7 43.38 4.23 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.919 0.39 . . . . 0.0 111.215 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -106.34 118.75 53.94 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.273 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_exo -49.59 121.69 7.6 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.292 1.995 . . . . 0.0 112.347 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -147.64 -156.28 6.94 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.445 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -133.99 150.62 51.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.829 0.347 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 39.5 t -109.89 125.99 53.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.616 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 5.7 m -141.58 157.16 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.959 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -54.32 176.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.189 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.499 HG22 ' CG2' ' A' ' 121' ' ' VAL . 1.0 OUTLIER -80.48 -1.67 4.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.541 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.6 mttm -109.69 22.1 16.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.887 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.6 tttm -136.57 -39.13 0.65 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.781 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -57.21 116.83 3.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.59 -31.75 72.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.933 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 41.4 m-70 -59.8 -35.83 75.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.79 -40.33 83.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.798 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.09 -33.53 76.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.093 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -66.78 -40.81 88.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.766 HG23 ' HG2' ' A' ' 104' ' ' GLU . 27.0 mt -67.61 -34.91 71.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.994 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -67.79 -32.9 73.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.82 -32.52 21.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.96 160.13 61.34 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.8 -172.09 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.644 2.229 . . . . 0.0 112.273 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.6 pt -87.37 -179.48 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 158.43 130.57 1.19 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.507 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -30.76 69.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.82 0.343 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.466 ' O ' HG22 ' A' ' 106' ' ' THR . 1.4 m-20 -63.68 -28.62 70.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.766 ' HG2' HG23 ' A' ' 95' ' ' ILE . 1.3 mp0 -75.16 -34.6 61.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.765 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 57.7 m -74.1 -35.75 64.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.466 HG22 ' O ' ' A' ' 103' ' ' ASP . 4.8 t -72.35 -33.9 67.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.709 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -69.42 -34.12 73.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 38.0 tp -71.9 -38.1 70.0 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.415 ' HA ' ' CG1' ' A' ' 112' ' ' VAL . 9.7 mttt -71.06 -29.28 65.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.005 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -76.07 -29.86 58.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.9 m -105.29 42.2 1.26 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.937 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.415 ' CG1' ' HA ' ' A' ' 109' ' ' LYS . 28.1 m -87.67 131.56 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.201 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.412 ' HB3' ' CB ' ' A' ' 120' ' ' SER . 0.1 OUTLIER -96.98 36.87 1.36 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.875 179.904 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.205 179.924 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ASN . . . . . 0.445 ' C ' HG23 ' A' ' 86' ' ' ILE . 1.6 t-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.917 0.389 . . . . 0.0 110.816 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.412 ' CB ' ' HB3' ' A' ' 113' ' ' CYS . 1.1 m -123.09 134.23 54.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.819 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.499 ' CG2' HG22 ' A' ' 86' ' ' ILE . 11.8 t -140.48 161.89 24.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.065 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' CYS . . . . . 0.477 ' N ' HG12 ' A' ' 121' ' ' VAL . 1.5 m -111.76 124.22 51.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.856 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 18.3 m -129.3 118.98 23.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.817 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.398 -1.223 . . . . 0.0 112.45 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.69 0.281 . . . . 0.0 110.786 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.45 126.4 40.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.861 0.362 . . . . 0.0 110.797 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 17.6 p -134.3 166.02 23.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.081 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.5 mp -98.57 123.54 42.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.806 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.571 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 26.9 p -65.99 167.68 11.17 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.614 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.571 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 76.4 Cg_exo -50.92 -25.61 16.28 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.319 2.013 . . . . 0.0 112.096 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.93 7.82 43.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.104 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 65.22 39.34 5.47 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.9 0.381 . . . . 0.0 111.178 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -107.18 134.78 19.77 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.301 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -50.89 125.46 16.07 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.327 2.018 . . . . 0.0 112.485 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -153.49 -159.45 9.13 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.543 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.9 pttm -133.72 152.32 51.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.69 0.281 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 35.2 t -109.77 128.23 55.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.653 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.4 m -134.25 157.22 41.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.932 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -53.77 -175.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.082 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.708 HD11 HD12 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -96.04 23.84 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 -179.857 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.433 ' HD2' HG23 ' A' ' 86' ' ' ILE . 2.9 mptt -150.49 29.38 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.816 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -131.29 -44.16 1.03 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.8 t -66.7 135.53 54.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.981 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 49.9 p -68.27 -29.93 68.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 44.1 m170 -56.65 -41.57 77.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.726 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.708 HD12 HD11 ' A' ' 86' ' ' ILE . 3.8 mm? -60.67 -40.75 93.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.799 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.03 -34.44 78.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.938 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.76 -43.71 79.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 34.2 mm -66.33 -34.94 73.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.868 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.23 -31.2 71.87 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.844 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.95 -31.27 45.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -139.97 60.79 16.1 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.39 93.73 0.67 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.519 2.146 . . . . 0.0 112.355 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.489 ' C ' HD12 ' A' ' 100' ' ' ILE . 2.6 pp -147.2 171.56 3.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 76.69 112.06 0.14 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.548 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -60.4 -32.27 71.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.793 0.33 . . . . 0.0 110.802 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -63.04 -32.57 73.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.16 -33.57 70.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.17 -36.15 71.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.0 m -69.17 -33.96 74.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -69.97 -34.03 72.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.8 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.11 -35.89 76.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.441 ' O ' HG12 ' A' ' 112' ' ' VAL . 5.0 mttm -71.0 -30.49 66.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -82.35 -29.36 31.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.3 t -97.3 38.54 1.25 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.441 HG12 ' O ' ' A' ' 109' ' ' LYS . 14.4 p -100.97 142.0 16.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.05 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.8 m -95.07 38.71 1.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.05 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.086 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.774 0.321 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.17 143.82 27.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.536 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.496 HG12 ' N ' ' A' ' 122' ' ' CYS . 15.5 t -146.2 161.9 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.119 -179.659 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' CYS . . . . . 0.496 ' N ' HG12 ' A' ' 121' ' ' VAL . 1.2 m -111.64 123.88 51.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.637 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 32.7 m -116.83 119.22 34.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.906 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.394 -1.225 . . . . 0.0 112.497 -179.938 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.417 ' O ' ' HA ' ' A' ' 82' ' ' LYS . 9.3 mp . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.627 0.251 . . . . 0.0 110.58 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.53 121.72 40.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.948 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.407 ' HB3' ' HB2' ' A' ' 83' ' ' CYS . 25.8 p -124.92 157.95 34.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.909 0.385 . . . . 0.0 111.545 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.0 mp -109.02 122.8 48.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.745 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.539 HG21 ' HE2' ' A' ' 79' ' ' LYS . 3.5 p -74.11 172.83 7.58 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.655 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.481 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 53.4 Cg_exo -52.82 -30.76 48.66 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.297 1.998 . . . . 0.0 111.728 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.87 -7.65 58.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.86 179.368 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.2 m120 70.78 38.88 1.15 Allowed 'General case' 0 C--O 1.231 0.108 0 CA-C-O 121.049 0.452 . . . . 0.0 110.946 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.539 ' HE2' HG21 ' A' ' 75' ' ' THR . 7.0 pttt -104.7 108.5 61.03 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.841 179.257 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -43.52 124.57 4.29 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.51 2.14 . . . . 0.0 112.853 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -142.72 -146.19 4.57 Favored Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.921 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 1.7 mttp -134.16 148.92 51.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.767 0.318 . . . . 0.0 111.132 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.407 ' HB2' ' HB3' ' A' ' 73' ' ' CYS . 14.7 t -109.72 130.09 55.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.018 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.411 ' HB ' ' HB3' ' A' ' 88' ' ' LYS . 21.3 m -141.42 157.07 21.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.93 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 -54.99 -175.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.053 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.661 HG23 ' O ' ' A' ' 119' ' ' ASN . 1.4 pp -90.93 10.76 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.34 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -135.6 27.2 3.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.411 ' HB3' ' HB ' ' A' ' 84' ' ' VAL . 3.0 tttm -125.88 -43.79 1.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -68.69 115.49 8.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.6 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 43.6 p -56.88 -30.6 64.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.205 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -61.15 -35.44 77.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.832 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.618 HD13 ' O ' ' A' ' 86' ' ' ILE . 1.5 tt -70.49 -42.33 71.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.677 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.18 -30.81 71.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.075 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -70.28 -40.53 74.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.978 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.447 HG23 ' HG2' ' A' ' 104' ' ' GLU . 11.8 mt -68.11 -34.87 69.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -68.45 -34.49 76.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.022 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -85.96 -34.94 20.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.065 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -88.56 163.02 37.48 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.854 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -50.51 125.78 16.27 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.557 2.172 . . . . 0.0 112.371 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.3 tt -108.94 157.08 9.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.017 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -146.51 -176.45 20.33 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.451 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -66.02 -32.96 74.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.761 0.315 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -70.64 -32.03 69.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.447 ' HG2' HG23 ' A' ' 95' ' ' ILE . 1.1 tp10 -71.25 -33.55 69.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.0 m -70.46 -36.02 73.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.9 m -72.11 -33.87 68.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.773 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -69.71 -33.99 73.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.744 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.436 HD21 ' HG ' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -68.5 -42.5 78.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.828 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.478 ' O ' HG13 ' A' ' 112' ' ' VAL . 11.5 mtpp -70.98 -31.13 67.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.752 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.55 -31.7 63.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.7 m -97.6 38.3 1.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.798 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.553 HG23 ' H ' ' A' ' 114' ' ' ALA . 35.7 m -89.08 175.59 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.211 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -95.35 28.02 3.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.177 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.553 ' H ' HG23 ' A' ' 112' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.459 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ASN . . . . . 0.661 ' O ' HG23 ' A' ' 86' ' ' ILE . 4.3 m-20 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.87 0.367 . . . . 0.0 110.81 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.1 m -109.81 172.18 7.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.783 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.572 HG23 HG22 ' A' ' 86' ' ' ILE . 17.7 t -142.86 159.89 18.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.173 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' CYS . . . . . 0.487 ' N ' HG12 ' A' ' 121' ' ' VAL . 42.7 t -111.65 123.77 50.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.637 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 84.5 m -118.35 120.15 36.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.354 -1.248 . . . . 0.0 112.492 -179.965 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 17.8 tp . . . . . 0 C--O 1.229 0.014 0 CA-C-O 120.743 0.306 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.24 130.55 34.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.68 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.414 ' HB2' ' HB2' ' A' ' 83' ' ' CYS . 36.8 t -124.73 156.32 37.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.304 -179.63 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -116.22 122.86 46.25 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.873 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.614 HG23 ' C ' ' A' ' 124' ' ' GLY . 61.9 p -72.38 169.59 16.23 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.377 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.574 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 75.3 Cg_exo -50.93 -27.36 20.7 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.217 1.945 . . . . 0.0 112.033 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.56 6.25 44.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.073 179.59 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.2 m120 70.66 31.39 2.82 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.344 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 80' ' ' PRO . 26.5 tptp -82.69 128.26 67.01 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.902 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 79' ' ' LYS . 5.9 Cg_exo -78.92 107.97 2.33 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.37 2.046 . . . . 0.0 113.112 -179.059 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.486 ' HA3' ' HA3' ' A' ' 124' ' ' GLY . . . -130.03 -144.94 5.69 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.668 -0.697 . . . . 0.0 112.257 179.208 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.57 152.46 51.8 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.767 0.318 . . . . 0.0 110.917 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.414 ' HB2' ' HB2' ' A' ' 73' ' ' CYS . 17.2 t -109.56 125.66 52.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.387 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 25.3 m -137.56 157.32 33.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.977 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -56.23 -166.31 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.997 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.57 HG22 ' CG2' ' A' ' 121' ' ' VAL . 1.7 pt -97.17 36.11 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.364 0.602 . . . . 0.0 111.158 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.2 pttt -155.16 47.94 0.54 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.02 -46.25 0.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.184 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 2.6 t -65.37 132.96 50.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.051 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.6 m -71.02 -30.0 66.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.955 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -56.31 -34.58 66.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.491 HD11 HG11 ' A' ' 121' ' ' VAL . 8.1 mp -67.8 -40.33 83.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.754 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.95 -32.5 74.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.898 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -66.24 -42.93 87.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.489 HG21 HD11 ' A' ' 108' ' ' LEU . 31.9 mm -68.41 -37.42 77.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.958 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -70.04 -30.94 68.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.937 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -70.61 -30.88 67.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.967 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -145.78 105.35 4.24 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.941 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -68.43 -166.06 0.14 Allowed 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.449 2.099 . . . . 0.0 112.242 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.448 HG22 ' N ' ' A' ' 101' ' ' GLY . 19.2 mm 70.5 157.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.168 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.448 ' N ' HG22 ' A' ' 100' ' ' ILE . . . 108.2 96.89 2.47 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.457 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.0 -33.08 70.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.814 0.34 . . . . 0.0 110.972 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -71.99 -31.07 65.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -72.28 -40.81 67.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.22 -35.21 71.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.705 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 25.0 m -71.34 -34.05 70.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.663 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -66.82 -35.08 79.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.831 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.489 HD11 HG21 ' A' ' 95' ' ' ILE . 8.6 mt -72.11 -39.5 68.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.824 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.8 tmtp? -71.06 -33.41 70.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.943 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -81.56 -28.52 33.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 73.9 m -97.13 37.91 1.29 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.601 HG22 ' H ' ' A' ' 114' ' ' ALA . 11.3 p -90.18 135.73 25.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.006 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.05 29.36 2.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.066 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.601 ' H ' HG22 ' A' ' 112' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.224 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ASN . . . . . 0.564 ' O ' HG23 ' A' ' 86' ' ' ILE . 5.5 m-20 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.803 0.335 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.6 m -100.88 138.95 37.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.789 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.57 ' CG2' HG22 ' A' ' 86' ' ' ILE . 28.3 t -128.8 159.23 40.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.095 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' CYS . . . . . 0.496 ' N ' HG12 ' A' ' 121' ' ' VAL . 42.4 t -111.84 133.11 54.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.616 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 55.8 m -134.08 118.85 18.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.75 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' GLY . . . . . 0.614 ' C ' HG23 ' A' ' 75' ' ' THR . . . . . . . . 0 C--O 1.246 0.901 0 CA-C-O 118.175 -1.347 . . . . 0.0 112.6 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.228 -0.035 0 CA-C-O 120.807 0.337 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.23 123.24 36.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.497 179.647 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 41.8 t -124.79 148.9 47.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.3 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.9 mp -99.38 122.84 43.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.805 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.559 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 34.0 p -61.9 168.31 3.76 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.504 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.559 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 76.1 Cg_exo -50.88 -24.58 13.94 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.272 1.981 . . . . 0.0 112.275 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.39 6.21 49.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.313 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 70.1 35.56 2.13 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.802 0.334 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.68 118.81 65.86 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.415 179.575 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_exo -50.44 123.6 11.57 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.346 2.031 . . . . 0.0 112.576 -179.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -147.7 -152.4 5.66 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.164 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.6 mttp -133.99 152.08 51.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.77 0.319 . . . . 0.0 110.956 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 52.7 t -109.95 125.95 53.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.836 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 31.6 m -137.65 157.09 33.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.754 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -51.61 177.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.195 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.58 HG22 HG23 ' A' ' 121' ' ' VAL . 1.1 pp -85.5 5.08 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.624 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.8 24.21 5.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.24 -40.76 2.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.934 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 7.8 t -67.36 128.35 36.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.832 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.02 -33.78 75.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.068 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -59.32 -48.88 79.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.948 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.446 HD22 ' HA ' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -59.56 -39.88 85.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.739 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.417 ' HA ' ' HG2' ' A' ' 96' ' ' GLU . . . -65.08 -32.33 73.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.154 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -69.66 -37.65 76.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.823 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 28.6 mm -66.9 -42.0 88.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.074 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.417 ' HG2' ' HA ' ' A' ' 93' ' ' ALA . 12.1 pt-20 -70.11 -35.46 74.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.46 -31.8 71.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.945 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.04 70.71 12.13 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.2 87.41 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.623 2.216 . . . . 0.0 112.231 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.4 mt -137.82 139.27 43.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.169 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.54 99.53 0.79 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.525 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -66.28 -31.14 71.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.766 0.317 . . . . 0.0 110.873 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -69.58 -34.63 74.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.962 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -73.58 -34.56 65.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.748 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 23.3 m -72.75 -31.42 64.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.728 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 26.0 m -70.53 -35.94 73.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.816 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.34 -40.58 89.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.69 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.82 -42.23 95.14 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.687 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -69.1 -31.21 69.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.476 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -67.49 -29.08 68.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.661 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.6 m -94.97 36.93 1.17 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.82 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 120' ' ' SER . 11.9 p -81.81 139.12 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.18 62.95 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.831 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.209 -179.966 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 21.4 m-20 . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.825 0.345 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.461 ' O ' HG23 ' A' ' 112' ' ' VAL . 2.5 p -126.19 161.05 28.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.991 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.58 HG23 HG22 ' A' ' 86' ' ' ILE . 18.4 t -144.27 160.14 15.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.967 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' CYS . . . . . 0.482 ' N ' HG12 ' A' ' 121' ' ' VAL . 84.2 m -111.85 124.02 51.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.948 0.404 . . . . 0.0 110.728 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 74.8 m -127.29 124.9 39.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.843 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.521 -179.986 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.2 tt . . . . . 0 N--CA 1.456 -0.135 0 CA-C-O 120.735 0.302 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.94 124.67 47.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 26.8 p -129.02 163.61 25.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.143 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.451 HD22 ' OD1' ' A' ' 78' ' ' ASN . 0.6 OUTLIER -97.4 122.84 40.9 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.945 179.887 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.48 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 0.7 OUTLIER -69.88 168.01 20.51 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.563 179.863 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.48 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 8.7 Cg_endo -50.58 -25.36 14.49 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.484 2.123 . . . . 0.0 112.055 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.63 4.77 53.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.318 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.451 ' OD1' HD22 ' A' ' 74' ' ' LEU . 1.2 m-80 67.57 37.28 3.42 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.929 0.395 . . . . 0.0 111.145 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 43.8 mttt -106.97 136.89 19.4 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.433 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.48 117.73 4.13 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.33 2.02 . . . . 0.0 112.334 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -136.01 -154.77 6.98 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.266 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.7 mtmp? -134.13 147.78 50.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.954 0.406 . . . . 0.0 111.109 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 12.5 t -109.8 126.73 54.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.762 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 28.9 m -142.13 157.18 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -51.1 177.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.262 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.445 HD12 ' HD2' ' A' ' 87' ' ' LYS . 1.1 pp -80.24 -1.73 4.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.626 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.445 ' HD2' HD12 ' A' ' 86' ' ' ILE . 1.2 mptp? -112.61 23.4 13.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.34 -39.5 0.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.977 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.33 128.83 35.97 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.869 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.1 p -71.2 -42.1 69.41 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.077 -0.511 . . . . 0.0 112.164 -179.122 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.67 ' CE1' HG11 ' A' ' 121' ' ' VAL . 4.1 p-80 -55.96 -33.79 65.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.867 0.365 . . . . 0.0 111.098 -179.357 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.572 ' O ' HG22 ' A' ' 95' ' ' ILE . 0.2 OUTLIER -67.59 -42.14 82.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.791 179.85 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.2 -29.97 70.83 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.126 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.1 -43.4 67.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.708 HD13 ' O ' ' A' ' 95' ' ' ILE . 0.0 OUTLIER -67.36 -34.55 69.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.754 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.35 -31.93 73.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.711 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -86.02 -31.89 21.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -92.67 162.51 29.11 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.23 -173.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.638 2.226 . . . . 0.0 112.365 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.2 pt -93.3 179.71 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 173.48 138.31 2.61 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.393 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.56 -32.89 71.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.788 0.328 . . . . 0.0 110.795 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.19 -31.35 72.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -68.02 -35.64 78.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.6 -35.5 65.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -73.04 -33.97 66.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.735 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -70.17 -33.94 72.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.844 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.47 -37.82 80.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.795 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.451 ' O ' HG12 ' A' ' 112' ' ' VAL . 5.2 mttm -71.03 -30.59 66.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.806 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -83.43 -28.44 28.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.1 m -97.1 37.49 1.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.451 HG12 ' O ' ' A' ' 109' ' ' LYS . 13.4 p -101.04 147.66 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.966 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 76.2 m -96.99 36.71 1.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.987 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.248 179.901 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.233 0.196 0 CA-C-O 120.881 0.372 . . . . 0.0 110.761 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 60.7 p -144.74 146.6 32.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.67 HG11 ' CE1' ' A' ' 91' ' ' HIS . 10.5 t -128.01 162.5 33.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' CYS . . . . . 0.489 ' N ' HG12 ' A' ' 121' ' ' VAL . 34.9 t -111.69 123.66 50.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.93 0.395 . . . . 0.0 110.744 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 2.0 m -122.56 119.37 30.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.151 0 CA-C-O 118.342 -1.255 . . . . 0.0 112.564 -179.909 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.228 -0.031 0 CA-C-O 120.77 0.319 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.91 124.04 28.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.824 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 17.6 p -124.9 160.08 29.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.976 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -94.03 125.04 38.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.666 HG23 ' O ' ' A' ' 79' ' ' LYS . 18.0 p -61.3 168.77 2.72 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.744 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.498 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 58.5 Cg_exo -52.46 -25.97 26.79 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.393 2.062 . . . . 0.0 112.09 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.88 8.11 45.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.095 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.0 m120 70.95 41.28 0.84 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.838 0.351 . . . . 0.0 110.962 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.666 ' O ' HG23 ' A' ' 75' ' ' THR . 6.2 tttm -106.98 138.75 19.9 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.595 179.699 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.17 125.38 18.19 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.328 2.019 . . . . 0.0 112.279 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -153.37 -163.15 11.54 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.35 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.7 mttp -133.79 152.54 51.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.668 0.271 . . . . 0.0 110.72 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 50.1 t -109.36 125.84 52.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.53 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.443 ' HB ' ' HD3' ' A' ' 88' ' ' LYS . 2.7 m -138.45 157.33 30.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.27 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.86 -176.9 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.089 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.919 HG22 HG23 ' A' ' 121' ' ' VAL . 1.2 pp -98.7 7.55 8.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.589 -179.734 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.51 31.97 4.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.594 -179.556 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.443 ' HD3' ' HB ' ' A' ' 84' ' ' VAL . 0.8 OUTLIER -145.02 -35.1 0.33 Allowed 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.813 179.667 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 89' ' ' CYS . . . . . 0.443 ' N ' ' HG3' ' A' ' 88' ' ' LYS . 7.6 t -72.02 134.29 45.79 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.841 0.353 . . . . 0.0 110.746 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.41 -33.56 69.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.144 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -59.12 -36.16 74.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.004 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.651 ' HA ' HD12 ' A' ' 95' ' ' ILE . 0.2 OUTLIER -69.15 -39.01 79.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.784 179.883 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.97 -33.13 75.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.112 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -69.47 -39.02 77.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.651 HD12 ' HA ' ' A' ' 92' ' ' LEU . 11.4 mt -66.91 -34.93 73.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.048 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -69.33 -32.16 71.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -70.41 -30.92 67.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -103.79 93.97 5.8 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.37 156.71 63.56 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.428 2.085 . . . . 0.0 112.267 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.424 HG22 ' N ' ' A' ' 101' ' ' GLY . 18.5 mt 61.95 154.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.051 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.424 ' N ' HG22 ' A' ' 100' ' ' ILE . . . 121.68 99.31 1.58 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.541 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.1 -23.99 65.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.777 0.322 . . . . 0.0 111.121 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -60.21 -45.86 91.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.261 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -64.95 -31.88 73.33 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.961 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.489 ' HA ' HD23 ' A' ' 108' ' ' LEU . 5.6 m -71.72 -29.81 64.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 19.8 m -75.61 -33.79 60.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.55 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -70.08 -39.93 75.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.299 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.499 ' C ' HD12 ' A' ' 108' ' ' LEU . 1.7 pp -70.52 -34.79 72.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.758 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.468 ' O ' HG12 ' A' ' 112' ' ' VAL . 0.0 OUTLIER -68.41 -30.29 69.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.855 179.864 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -77.22 -33.47 56.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.928 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 34.2 t -106.95 43.04 1.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.977 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.468 HG12 ' O ' ' A' ' 109' ' ' LYS . 12.4 p -98.79 130.91 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -75.26 63.2 1.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.039 0.447 . . . . 0.0 110.749 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.135 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 8.7 m120 . . . . . 0 C--O 1.23 0.03 0 CA-C-O 120.89 0.376 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 18.2 p -151.67 146.2 25.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.955 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.919 HG23 HG22 ' A' ' 86' ' ' ILE . 35.2 t -130.34 160.72 41.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.709 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' CYS . . . . . 0.515 ' N ' HG12 ' A' ' 121' ' ' VAL . 1.3 m -111.7 123.81 51.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.994 0.426 . . . . 0.0 110.932 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 55.4 m -119.01 118.93 32.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.597 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.409 -1.217 . . . . 0.0 112.535 -179.851 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.622 HD23 ' N ' ' A' ' 72' ' ' SER . 1.1 tt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.843 0.354 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.622 ' N ' HD23 ' A' ' 71' ' ' LEU . 0.3 OUTLIER -84.41 130.81 34.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.645 179.858 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.434 ' HB2' ' HB2' ' A' ' 83' ' ' CYS . 10.7 t -126.18 151.1 47.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.027 -179.666 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.3 mp -100.96 123.71 45.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.775 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.604 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 70.0 p -60.77 162.53 11.76 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.467 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.604 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 7.3 Cg_endo -49.45 -25.04 9.8 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.447 2.098 . . . . 0.0 112.174 179.75 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.71 9.34 43.55 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.391 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 22.9 m-20 70.37 46.8 0.56 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.881 0.372 . . . . 0.0 111.3 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.2 127.99 26.25 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.224 179.44 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -47.94 127.06 14.03 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.43 2.087 . . . . 0.0 112.573 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -151.92 -162.44 10.82 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.433 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.14 152.08 51.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.877 0.37 . . . . 0.0 110.858 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.434 ' HB2' ' HB2' ' A' ' 73' ' ' CYS . 52.4 t -113.36 125.86 54.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 20.0 m -142.14 157.03 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -57.8 -174.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.789 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.558 ' HA ' HD23 ' A' ' 92' ' ' LEU . 0.7 OUTLIER -91.36 49.75 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.974 179.853 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.0 mttm -166.18 32.1 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.778 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.52 -47.22 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.886 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 4.1 t -60.11 124.11 19.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.982 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 47.8 p -58.5 -33.19 69.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.007 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -66.58 -43.85 83.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.558 HD23 ' HA ' ' A' ' 86' ' ' ILE . 6.8 mp -61.38 -38.89 88.66 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.863 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.99 -33.39 75.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.049 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -67.92 -42.89 80.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 39.2 mm -66.47 -34.95 73.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.969 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.2 -33.54 75.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.822 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -81.99 -32.13 30.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.79 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.71 170.39 8.14 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.803 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -50.18 157.59 2.9 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.641 2.227 . . . . 0.0 112.32 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.422 HG22 ' N ' ' A' ' 101' ' ' GLY . 28.6 mm -112.88 155.4 14.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.422 ' N ' HG22 ' A' ' 100' ' ' ILE . . . -155.37 161.23 30.37 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.57 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -59.88 -30.91 69.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.876 0.369 . . . . 0.0 110.953 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.16 -33.66 76.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -73.04 -33.79 65.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.6 m -70.81 -31.84 68.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.776 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.6 m -72.45 -34.54 67.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.37 -34.68 76.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.496 HD23 ' O ' ' A' ' 108' ' ' LEU . 4.6 tt -71.07 -34.98 71.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.52 -32.2 71.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.887 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -77.77 -28.4 50.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.4 p -102.86 41.49 1.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.666 HG22 ' H ' ' A' ' 114' ' ' ALA . 12.2 p -95.93 136.15 27.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 8.9 m -94.0 24.77 4.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.2 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.666 ' H ' HG22 ' A' ' 112' ' ' VAL . . . . . . . . 0 C--N 1.331 -0.205 0 CA-C-O 120.817 0.342 . . . . 0.0 111.08 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 . . . . . 0 N--CA 1.462 0.147 0 CA-C-O 120.834 0.349 . . . . 0.0 111.582 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.96 162.66 13.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.672 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.551 HG21 HD21 ' A' ' 92' ' ' LEU . 20.0 t -144.13 157.35 15.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.328 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' CYS . . . . . 0.46 ' N ' HG12 ' A' ' 121' ' ' VAL . 44.4 t -111.86 129.72 56.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.725 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 26.9 m -130.78 119.08 21.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.321 -1.266 . . . . 0.0 112.53 179.926 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.761 0.315 . . . . 0.0 110.623 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.37 125.42 32.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.954 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 30.0 p -124.95 148.07 48.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.822 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.6 mp -93.82 123.05 36.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.493 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 7.2 p -67.38 167.2 16.22 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.828 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.493 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 67.5 Cg_exo -51.54 -25.43 19.43 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.389 2.059 . . . . 0.0 112.077 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.42 9.96 39.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.181 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 66.38 39.41 4.0 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.908 0.385 . . . . 0.0 110.933 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.6 ttmt -99.74 132.05 23.65 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.334 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -58.9 121.27 9.67 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.368 2.046 . . . . 0.0 112.349 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -147.4 -162.32 9.94 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.465 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.93 146.55 52.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.785 0.326 . . . . 0.0 110.816 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 18.7 t -109.79 125.99 53.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.733 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 6.1 m -139.31 155.33 25.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.979 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -55.53 170.15 0.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.767 HG23 ' O ' ' A' ' 86' ' ' ILE . 0.1 OUTLIER -82.72 57.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.518 0.675 . . . . 0.0 110.666 179.841 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.35 35.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.829 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.7 tttp -147.65 -46.64 0.17 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.864 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' CYS . . . . . 0.515 ' HB3' HD23 ' A' ' 92' ' ' LEU . 0.6 OUTLIER -72.27 123.22 22.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.964 179.914 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 18.5 p -59.3 -29.99 68.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.957 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 15.1 t-160 -58.06 -38.87 77.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.013 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.609 HD21 HG11 ' A' ' 121' ' ' VAL . 4.5 mm? -68.05 -39.02 83.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.779 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.09 -33.47 76.1 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.024 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -70.9 -38.28 73.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.83 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.497 HD12 ' HA ' ' A' ' 92' ' ' LEU . 12.8 mt -70.67 -34.86 58.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.011 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -70.12 -32.49 70.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -30.96 71.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.773 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -112.3 97.4 39.36 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.828 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -84.16 31.17 0.51 Allowed 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 123.03 2.487 . . . . 0.0 112.715 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.9 mt -128.28 135.05 63.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.769 0.319 . . . . 0.0 110.989 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 109.81 113.54 3.55 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.616 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -55.16 -23.78 23.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.747 0.308 . . . . 0.0 111.183 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -55.67 -27.98 52.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.152 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -65.93 -44.02 86.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.877 0.37 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 77.1 m -72.01 -31.57 66.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.648 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -73.98 -33.9 64.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.824 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.37 -36.96 71.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.0 tp -72.06 -40.63 68.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.786 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -71.18 -29.58 65.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.098 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -87.41 -29.03 21.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.111 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.3 p -110.59 44.12 1.31 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.136 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.704 HG22 ' H ' ' A' ' 114' ' ' ALA . 12.4 p -97.89 134.79 34.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.128 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.3 m -98.34 26.32 5.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.079 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.704 ' H ' HG22 ' A' ' 112' ' ' VAL . . . . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.913 0.387 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 75.5 m -126.9 157.13 40.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.609 HG11 HD21 ' A' ' 92' ' ' LEU . 15.9 t -141.78 154.97 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.968 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 39.9 t -111.83 123.89 51.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.631 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 14.8 m -109.94 131.66 54.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.819 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.09 0 CA-C-O 118.397 -1.224 . . . . 0.0 112.531 179.893 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.492 HD23 ' N ' ' A' ' 72' ' ' SER . 0.6 OUTLIER . . . . . 0 N--CA 1.458 -0.043 0 CA-C-O 120.785 0.326 . . . . 0.0 110.934 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.492 ' N ' HD23 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -91.4 125.02 36.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.714 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.404 ' HB2' ' HB2' ' A' ' 83' ' ' CYS . 41.2 t -126.06 149.98 48.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.231 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.6 123.33 40.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.614 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.543 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 1.5 p -65.32 166.26 14.4 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.708 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.543 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 9.6 Cg_endo -50.8 -25.35 15.25 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.426 2.084 . . . . 0.0 111.889 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.45 10.07 39.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.214 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 66.18 39.67 4.15 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.953 0.406 . . . . 0.0 111.207 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.22 136.16 19.49 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.246 179.545 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -58.19 120.94 9.15 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.46 2.107 . . . . 0.0 112.484 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -142.99 -159.4 7.93 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.199 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.88 152.1 51.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.861 0.362 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.404 ' HB2' ' HB2' ' A' ' 73' ' ' CYS . 50.1 t -109.8 126.06 53.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.775 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 28.7 m -139.92 157.02 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.071 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -54.84 -178.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.16 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.2 pp -86.89 5.64 3.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.563 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.3 pttt -124.78 23.5 7.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.991 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.95 -40.35 1.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.3 t -69.77 134.17 48.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 68.1 p -65.81 -32.27 73.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.079 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.3 m170 -58.83 -33.79 70.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.003 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.54 ' HA ' HD12 ' A' ' 95' ' ' ILE . 3.9 mm? -69.07 -40.32 78.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.15 -33.99 77.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.121 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -67.04 -38.71 86.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.985 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.738 HG23 ' HB3' ' A' ' 99' ' ' PRO . 12.8 mt -68.78 -36.7 75.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.017 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.21 -31.5 68.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.92 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -82.38 -39.62 22.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.054 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -178.61 100.02 0.21 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.004 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.738 ' HB3' HG23 ' A' ' 95' ' ' ILE . 96.1 Cg_endo -80.58 109.88 2.33 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 122.281 1.987 . . . . 0.0 112.347 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.1 pt -101.62 136.72 32.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.053 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 66.58 114.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.509 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -59.53 -29.13 67.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.776 0.322 . . . . 0.0 110.942 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.8 p30 -58.75 -30.89 67.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.982 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -72.71 -36.06 67.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.1 m -69.99 -33.28 71.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.799 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.7 m -71.42 -34.09 70.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.663 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -66.41 -37.93 86.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.72 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.592 ' HG ' HD11 ' A' ' 95' ' ' ILE . 3.3 mm? -63.42 -45.87 89.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.582 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -31.48 72.36 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.729 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.5 -26.99 64.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.798 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 48.5 m -96.23 35.73 1.42 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.961 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 11.1 p -70.95 127.26 32.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.032 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.56 63.94 0.28 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.999 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.075 179.906 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 26.8 m120 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.878 0.371 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.4 m -118.85 164.34 15.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.478 HG12 ' N ' ' A' ' 122' ' ' CYS . 17.6 t -133.85 160.45 41.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.994 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' CYS . . . . . 0.478 ' N ' HG12 ' A' ' 121' ' ' VAL . 86.1 m -111.7 123.84 51.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.813 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 15.7 m -116.0 119.01 34.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.09 0 CA-C-O 118.396 -1.224 . . . . 0.0 112.508 -179.945 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.691 0.282 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.49 128.97 45.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.713 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 15.2 p -133.73 166.96 21.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.23 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.2 mp -98.05 122.96 41.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.734 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.516 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 1.1 p -66.36 166.63 16.18 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.689 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.516 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 8.5 Cg_endo -50.32 -25.7 14.2 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.563 2.176 . . . . 0.0 111.987 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.76 7.14 45.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.142 179.698 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 65.62 39.66 4.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.97 0.414 . . . . 0.0 111.117 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -108.71 135.71 20.05 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.328 179.418 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -52.85 123.33 12.8 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.277 1.985 . . . . 0.0 112.302 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -148.14 -155.74 6.77 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.205 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.2 pttm -134.07 149.12 51.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.891 0.377 . . . . 0.0 111.025 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 52.0 t -109.79 125.98 53.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.608 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 30.1 m -141.53 157.15 21.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.883 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -52.91 -178.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.704 ' HA ' HD22 ' A' ' 92' ' ' LEU . 1.8 pp -87.32 5.07 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.511 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.7 ptmt -127.83 23.02 6.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.031 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -121.96 -38.11 2.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.828 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.5 t -75.76 113.21 12.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.723 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.7 m -57.13 -39.43 75.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.078 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.8 -37.16 83.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.706 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.704 HD22 ' HA ' ' A' ' 86' ' ' ILE . 1.3 tp -65.5 -39.49 91.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.89 -34.01 77.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -66.09 -43.52 87.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.637 HG23 ' OE1' ' A' ' 104' ' ' GLU . 37.3 mm -65.73 -36.44 77.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.069 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.11 -31.06 68.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.953 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -85.96 -32.34 21.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -124.12 72.41 55.56 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.078 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -77.16 108.55 2.65 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.629 2.219 . . . . 0.0 112.398 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 9.7 pt -126.62 119.08 52.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.265 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 74.66 126.64 0.16 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.59 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.46 -24.02 42.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.79 0.329 . . . . 0.0 111.214 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -57.42 -30.54 65.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.104 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.637 ' OE1' HG23 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -73.59 -31.79 63.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.962 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.414 ' N ' ' HG3' ' A' ' 104' ' ' GLU . 2.3 m -72.25 -37.13 69.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.987 0.423 . . . . 0.0 110.865 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 24.5 m -70.25 -34.0 72.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.655 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -67.23 -34.97 78.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.829 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.4 tt -69.97 -38.54 76.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.759 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.82 -31.97 68.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.785 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -69.87 -29.18 66.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.986 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 11.5 p -96.92 37.32 1.31 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.3 p -87.27 128.56 39.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.201 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.78 64.05 0.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.105 0.479 . . . . 0.0 110.856 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.078 -179.971 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.866 0.365 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 58.8 m -143.93 147.61 34.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.534 ' CG2' HG22 ' A' ' 86' ' ' ILE . 10.0 t -131.49 162.06 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' CYS . . . . . 0.483 ' N ' HG12 ' A' ' 121' ' ' VAL . 1.3 m -111.8 123.89 51.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.884 0.374 . . . . 0.0 111.156 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 85.4 m -122.21 118.87 29.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.594 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.091 0 CA-C-O 118.372 -1.238 . . . . 0.0 112.54 -179.875 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.4 tp . . . . . 0 CA--C 1.526 0.055 0 CA-C-O 120.832 0.348 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.87 127.74 32.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.718 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.431 ' HB2' ' HB2' ' A' ' 83' ' ' CYS . 43.4 t -124.87 156.11 38.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.184 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.4 mp -105.53 126.15 51.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.928 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.541 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 35.8 p -61.98 168.55 3.57 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.523 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.541 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 71.9 Cg_exo -51.62 -24.8 18.21 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.302 2.002 . . . . 0.0 112.144 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.12 9.69 42.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 70.45 36.38 1.74 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.878 0.37 . . . . 0.0 110.957 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.84 124.14 57.49 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.638 179.682 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.11 125.48 17.46 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.412 2.075 . . . . 0.0 112.315 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -151.52 -156.82 7.6 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.528 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -131.55 152.21 50.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.816 0.341 . . . . 0.0 110.871 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.431 ' HB2' ' HB2' ' A' ' 73' ' ' CYS . 43.3 t -109.9 129.52 55.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.995 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 21.7 m -142.03 157.08 20.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.043 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -55.4 -174.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.667 HD12 HG21 ' A' ' 121' ' ' VAL . 1.5 tp -97.39 27.61 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.152 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.2 mtpp -144.64 29.38 1.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -134.57 -52.25 0.81 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.969 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 2.7 t -58.14 126.62 28.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.926 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -64.9 -31.6 72.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.937 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 -59.72 -33.42 71.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.632 HD21 HD21 ' A' ' 108' ' ' LEU . 0.1 OUTLIER -69.83 -39.65 76.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.32 -32.12 73.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.175 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.61 -42.95 70.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.186 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.496 HG22 ' O ' ' A' ' 92' ' ' LEU . 0.6 OUTLIER -69.62 -34.85 63.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.717 179.885 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -68.97 -30.94 69.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.709 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.51 -31.7 67.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.842 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -165.99 81.43 1.08 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -73.97 137.53 24.37 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.588 2.192 . . . . 0.0 112.343 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.66 ' N ' HD13 ' A' ' 100' ' ' ILE . 0.2 OUTLIER -151.1 169.51 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.065 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 64.46 112.82 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.448 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -60.27 -31.0 69.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.798 0.332 . . . . 0.0 111.003 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -72.11 -30.95 65.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.012 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -72.0 -40.75 68.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.017 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 9.8 t -71.0 -33.16 70.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 57.3 m -73.69 -34.99 65.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -69.83 -34.02 73.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.691 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.632 HD21 HD21 ' A' ' 92' ' ' LEU . 2.3 tt -66.21 -40.97 90.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.533 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -71.0 -30.12 66.26 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.606 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -72.63 -22.03 61.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.926 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.54 32.32 1.41 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.012 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.631 HG22 ' H ' ' A' ' 114' ' ' ALA . 12.9 p -77.27 144.86 10.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-O 120.989 0.423 . . . . 0.0 110.708 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.4 15.86 8.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.794 -179.583 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.631 ' H ' HG22 ' A' ' 112' ' ' VAL . . . . . . . . 0 N--CA 1.465 0.322 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.934 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 15.8 t30 . . . . . 0 N--CA 1.456 -0.144 0 CA-C-O 120.841 0.353 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.2 p -96.68 135.47 38.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.47 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.667 HG21 HD12 ' A' ' 86' ' ' ILE . 15.2 t -119.99 162.15 18.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.244 -179.499 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' CYS . . . . . 0.501 ' N ' HG12 ' A' ' 121' ' ' VAL . 95.6 m -111.51 123.91 51.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.616 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 61.7 m -122.38 118.86 29.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.999 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 CA-C-O 118.408 -1.218 . . . . 0.0 112.516 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.526 0.022 0 CA-C-O 120.764 0.316 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.85 127.4 34.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.822 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.402 ' HB2' ' HB2' ' A' ' 83' ' ' CYS . 42.9 t -124.97 155.54 39.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.032 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mp -100.81 122.94 44.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.783 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.564 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 70.4 p -65.54 168.17 8.98 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.637 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.564 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 74.4 Cg_exo -51.5 -27.91 26.48 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.319 2.012 . . . . 0.0 112.064 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.52 7.33 43.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.091 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 16.9 m120 67.32 39.78 2.9 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.842 0.353 . . . . 0.0 111.177 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.1 mmtm -104.63 132.75 20.64 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.29 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -50.46 126.39 17.67 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.392 2.061 . . . . 0.0 112.521 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -147.08 -159.28 8.23 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.285 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.02 152.05 51.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.766 0.317 . . . . 0.0 111.003 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.402 ' HB2' ' HB2' ' A' ' 73' ' ' CYS . 52.0 t -111.8 129.1 56.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.984 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 5.5 m -141.92 156.96 20.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.972 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -55.05 177.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.512 HD12 HG21 ' A' ' 121' ' ' VAL . 0.7 OUTLIER -91.68 48.26 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.111 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -170.1 34.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.471 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.2 tttm -143.65 -45.7 0.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 18.8 t -59.57 118.37 5.99 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 29.2 p -58.9 -32.88 69.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.017 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 7.2 m80 -63.95 -37.21 86.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.424 HD11 HD11 ' A' ' 108' ' ' LEU . 0.1 OUTLIER -68.24 -37.94 81.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.756 179.869 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.2 -33.47 75.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.111 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -70.6 -40.01 73.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.402 HG22 ' CG ' ' A' ' 104' ' ' GLU . 23.3 mt -67.07 -34.97 73.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.881 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -64.55 -36.61 84.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.671 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.27 -35.7 40.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.766 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.422 ' CB ' ' HD2' ' A' ' 99' ' ' PRO . 1.1 m-20 -62.93 166.76 7.16 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.737 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.422 ' HD2' ' CB ' ' A' ' 98' ' ' ASP . 9.8 Cg_endo -51.1 120.0 6.15 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.566 2.177 . . . . 0.0 112.087 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.4 tt -83.15 142.62 13.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 CA-C-O 121.185 0.517 . . . . 0.0 111.029 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -170.04 -176.76 39.89 Favored Glycine 0 N--CA 1.451 -0.317 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.408 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -59.83 -30.3 68.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.818 0.342 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -69.32 -31.78 70.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.957 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.402 ' CG ' HG22 ' A' ' 95' ' ' ILE . 0.6 OUTLIER -66.84 -37.02 83.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 18.6 m -72.89 -33.98 66.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.707 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 19.3 m -71.52 -34.06 69.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.759 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -67.55 -35.25 78.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.432 HD21 HD11 ' A' ' 86' ' ' ILE . 1.5 mp -71.91 -36.86 70.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.867 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.661 ' O ' HG13 ' A' ' 112' ' ' VAL . 2.9 tptp -69.85 -31.51 69.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.919 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -72.62 -31.02 64.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 50.6 m -102.59 41.1 1.27 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.661 HG13 ' O ' ' A' ' 109' ' ' LYS . 35.4 m -83.3 143.19 12.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.066 0.46 . . . . 0.0 111.001 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.1 24.61 5.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.189 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.204 0 CA-C-O 120.977 0.417 . . . . 0.0 111.349 179.948 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.933 0.397 . . . . 0.0 110.831 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 28.0 t -107.26 170.66 7.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.847 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.512 HG21 HD12 ' A' ' 86' ' ' ILE . 21.6 t -145.47 157.5 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.075 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' CYS . . . . . 0.461 ' N ' HG12 ' A' ' 121' ' ' VAL . 49.1 m -112.03 125.19 53.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.81 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 55.6 m -123.57 124.95 43.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.347 -1.252 . . . . 0.0 112.509 -179.961 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.0 tp . . . . . 0 C--O 1.228 -0.037 0 CA-C-O 120.674 0.273 . . . . 0.0 110.617 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.28 121.7 36.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.033 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 15.1 p -125.02 166.85 15.62 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.017 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.41 HD23 ' C ' ' A' ' 78' ' ' ASN . 0.4 OUTLIER -95.5 122.92 38.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.969 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.433 ' CB ' ' HD2' ' A' ' 76' ' ' PRO . 0.5 OUTLIER -66.14 167.88 10.97 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.741 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.433 ' HD2' ' CB ' ' A' ' 75' ' ' THR . 10.0 Cg_endo -51.58 -25.3 19.32 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.469 2.112 . . . . 0.0 111.989 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.01 8.59 43.29 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.071 179.699 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.41 ' C ' HD23 ' A' ' 74' ' ' LEU . 3.6 m120 68.33 38.81 2.41 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.823 0.344 . . . . 0.0 111.048 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.69 133.58 20.2 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.492 179.595 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -56.84 120.02 7.65 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.354 2.036 . . . . 0.0 112.243 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -143.3 -150.8 5.36 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.361 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.05 147.39 50.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.79 0.329 . . . . 0.0 110.97 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 40.6 t -109.84 125.96 53.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.738 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 4.7 m -137.81 157.27 32.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.868 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -52.31 -178.09 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.117 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.88 HD12 HG21 ' A' ' 121' ' ' VAL . 2.1 tp -93.84 23.39 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.417 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -145.01 33.88 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.947 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -141.15 -49.48 0.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.174 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 36.9 t -54.17 129.22 34.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.206 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.7 t -69.0 -35.72 77.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.842 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -60.57 -38.37 84.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.654 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.42 -40.22 96.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.78 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.06 -34.06 77.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.936 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -64.97 -41.95 94.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.826 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 30.7 mm -69.47 -37.38 74.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.884 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -70.03 -32.81 71.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.808 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -69.62 -31.66 69.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.951 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -88.79 171.15 9.6 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -51.57 178.1 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.626 2.217 . . . . 0.0 112.29 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.9 mt -122.5 150.5 26.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.049 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -168.38 169.05 41.34 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.527 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -60.87 -34.3 74.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.834 0.35 . . . . 0.0 110.87 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.66 -33.02 74.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.789 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.71 -31.93 65.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.782 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.65 -34.86 74.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.4 m -71.71 -37.54 70.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.805 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -68.21 -33.98 75.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.38 -43.52 73.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.79 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.25 -26.17 68.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -83.82 -27.1 29.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.08 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.59 46.37 1.63 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.092 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 9.3 p -125.77 149.75 30.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.187 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.1 m -90.24 51.01 1.94 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.697 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.965 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 7.2 p30 . . . . . 0 CA--C 1.534 0.337 0 N-CA-C 110.477 -0.194 . . . . 0.0 110.477 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 66.48 142.08 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.853 0.359 . . . . 0.0 110.89 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.88 HG21 HD12 ' A' ' 86' ' ' ILE . 12.3 t -139.36 159.24 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.198 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' CYS . . . . . 0.452 ' N ' HG12 ' A' ' 121' ' ' VAL . 1.3 m -111.89 123.96 51.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.769 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 86.5 m -132.33 119.0 20.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.815 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.174 0 CA-C-O 118.362 -1.243 . . . . 0.0 112.538 -179.975 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.55 HD23 ' N ' ' A' ' 72' ' ' SER . 2.2 tt . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.856 0.36 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.55 ' N ' HD23 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -102.27 121.97 43.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.796 179.883 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 27.8 p -124.84 153.93 41.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.973 0.416 . . . . 0.0 111.207 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.7 mp -93.85 122.83 36.75 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.753 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.462 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 1.8 p -67.08 166.26 21.3 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.755 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.462 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 74.5 Cg_exo -49.61 -36.95 42.22 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.374 2.049 . . . . 0.0 112.077 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.442 ' O ' ' CB ' ' A' ' 78' ' ' ASN . 14.8 p30 -74.53 -21.02 59.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.716 179.411 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.442 ' CB ' ' O ' ' A' ' 77' ' ' ASP . 33.9 m-80 89.0 45.77 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.948 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.6 tttm -114.11 135.94 22.16 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.834 179.172 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_exo -50.54 123.86 12.2 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.132 1.888 . . . . 0.0 112.606 -179.391 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -142.06 -157.79 7.29 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.126 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 53.6 pttt -134.16 147.26 50.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.881 0.372 . . . . 0.0 111.039 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.4 t -109.71 125.53 52.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.548 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.465 HG23 ' HB2' ' A' ' 89' ' ' CYS . 21.4 m -142.15 157.13 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.246 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -56.35 -176.0 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.181 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.631 HG22 ' CG2' ' A' ' 121' ' ' VAL . 18.2 pt -88.06 3.81 5.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.503 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -123.8 26.95 7.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.969 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 25.5 tptp -134.51 -42.15 0.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.799 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' CYS . . . . . 0.465 ' HB2' HG23 ' A' ' 84' ' ' VAL . 4.5 t -69.13 116.73 9.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.949 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 16.4 m -59.29 -29.99 67.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.971 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.66 -38.8 78.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.78 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -62.09 -41.24 97.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.736 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.99 -34.53 78.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.893 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -67.36 -43.31 81.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.907 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.409 HG22 HD11 ' A' ' 100' ' ' ILE . 33.9 mm -66.3 -34.94 73.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.827 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.28 -31.36 72.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.733 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -77.12 -30.84 55.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.72 119.99 72.48 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.82 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.75 106.41 0.17 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.549 2.166 . . . . 0.0 112.322 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.409 HD11 HG22 ' A' ' 95' ' ' ILE . 2.4 pp -153.16 158.79 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.183 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -132.9 -81.72 0.19 Allowed Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.554 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -58.91 -32.08 69.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.891 0.377 . . . . 0.0 110.976 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -60.13 -30.04 69.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.964 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -72.47 -34.36 67.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 11.3 m -69.43 -37.94 77.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.61 -34.44 67.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.761 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -71.96 -33.97 68.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.733 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.02 -38.08 75.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm -71.12 -29.76 65.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.964 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 12.2 m-20 -88.71 -30.35 19.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.082 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 64.0 m -101.22 39.0 1.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.082 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.9 p -105.75 147.96 10.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.016 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -96.25 33.51 1.75 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.993 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.223 179.902 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.851 0.358 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.1 m -152.34 172.76 15.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.017 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.631 ' CG2' HG22 ' A' ' 86' ' ' ILE . 12.3 t -142.79 157.74 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' CYS . . . . . 0.419 ' N ' HG12 ' A' ' 121' ' ' VAL . 40.5 t -111.64 124.81 53.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.694 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 13.0 m -121.36 123.79 43.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.874 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.371 -1.238 . . . . 0.0 112.473 179.956 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.55 HD23 ' N ' ' A' ' 72' ' ' SER . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.791 0.329 . . . . 0.0 111.035 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.55 ' N ' HD23 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -100.56 127.13 47.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.787 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 24.1 p -125.21 161.93 25.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.874 0.369 . . . . 0.0 111.132 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.2 mp -102.96 122.92 45.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.856 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.537 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 2.3 p -65.06 165.39 16.52 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.685 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.537 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 9.6 Cg_endo -50.8 -25.02 14.49 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.562 2.175 . . . . 0.0 112.111 179.653 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.52 9.2 43.05 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.183 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.9 m120 67.63 40.67 2.47 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.839 0.352 . . . . 0.0 111.106 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.15 129.19 25.6 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.368 179.448 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.14 123.71 13.19 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.199 1.933 . . . . 0.0 112.437 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -145.46 -159.19 8.01 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.385 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 27.3 mmtt -133.72 146.56 50.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.909 0.385 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 53.6 t -109.87 126.9 54.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.825 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.3 m -141.24 157.09 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.981 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -50.66 176.43 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.195 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.606 HG22 HG23 ' A' ' 121' ' ' VAL . 1.0 OUTLIER -83.22 0.68 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.569 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -123.14 22.55 9.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.966 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.84 -38.45 2.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.756 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 2.9 t -72.9 115.12 11.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.715 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.27 -33.57 67.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.004 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.24 -38.19 82.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.946 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.506 ' O ' HG22 ' A' ' 95' ' ' ILE . 0.4 OUTLIER -69.72 -38.09 76.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.71 179.776 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.25 -32.78 74.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.224 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.17 -43.57 73.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.047 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.506 HG22 ' O ' ' A' ' 92' ' ' LEU . 0.7 OUTLIER -69.75 -34.73 62.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.682 179.84 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -69.08 -32.85 72.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.716 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -67.12 -31.73 72.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.739 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.405 ' CB ' ' HD2' ' A' ' 99' ' ' PRO . 2.4 m-20 -102.84 166.01 12.67 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.739 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.405 ' HD2' ' CB ' ' A' ' 98' ' ' ASP . 9.4 Cg_endo -52.36 149.57 22.63 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.573 2.182 . . . . 0.0 112.11 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.8 mp -103.92 142.27 17.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.33 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -134.39 -167.3 11.45 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.388 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -67.07 -31.69 72.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.732 0.301 . . . . 0.0 110.971 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -64.31 -29.94 71.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -71.96 -37.64 69.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.7 m -70.66 -38.52 73.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.827 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 64.3 m -69.25 -33.92 74.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.758 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.15 -41.72 73.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.72 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.597 HD13 ' O ' ' A' ' 108' ' ' LEU . 0.2 OUTLIER -64.21 -36.47 84.19 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.841 179.872 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.453 ' O ' HG12 ' A' ' 112' ' ' VAL . 20.9 mtpt -63.54 -39.2 93.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.284 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.412 ' OD1' ' N ' ' A' ' 111' ' ' SER . 22.1 p30 -88.19 -27.49 21.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.208 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.412 ' N ' ' OD1' ' A' ' 110' ' ' ASN . 0.2 OUTLIER -97.01 32.15 2.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.007 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.453 HG12 ' O ' ' A' ' 109' ' ' LYS . 12.2 p -99.14 143.36 13.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.937 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 98.0 m -96.62 35.39 1.51 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.956 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.174 179.952 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ASN . . . . . 0.683 HD21 ' N ' ' A' ' 119' ' ' ASN . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.837 0.351 . . . . 0.0 110.926 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -141.99 163.81 31.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.778 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.606 HG23 HG22 ' A' ' 86' ' ' ILE . 20.6 t -144.94 158.4 14.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.044 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' CYS . . . . . 0.471 ' N ' HG12 ' A' ' 121' ' ' VAL . 50.3 t -111.74 123.75 50.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.785 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 13.2 m -117.91 119.04 33.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.8 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.532 179.926 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.5 tp . . . . . 0 N--CA 1.458 -0.042 0 CA-C-O 120.773 0.32 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.73 131.56 37.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.859 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.456 ' HB2' ' HB2' ' A' ' 83' ' ' CYS . 13.4 t -124.95 158.99 32.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.237 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.5 mp -105.55 125.57 51.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.796 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.536 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 30.6 p -60.95 168.85 2.35 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.623 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.536 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 64.2 Cg_exo -52.04 -24.73 20.4 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.247 1.965 . . . . 0.0 112.029 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -98.02 9.27 43.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.181 179.619 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 71.36 35.83 1.45 Allowed 'General case' 0 C--N 1.334 -0.097 0 CA-C-O 121.002 0.43 . . . . 0.0 110.931 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -96.79 142.5 24.63 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.451 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_endo -58.16 121.99 10.94 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.376 2.051 . . . . 0.0 112.266 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -141.16 -158.8 7.67 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.388 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.04 152.18 51.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.885 0.374 . . . . 0.0 111.116 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.456 ' HB2' ' HB2' ' A' ' 73' ' ' CYS . 41.0 t -110.31 125.65 53.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.814 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 29.1 m -142.39 157.11 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.961 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.02 -170.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.78 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.512 HG23 ' O ' ' A' ' 119' ' ' ASN . 18.2 pt -87.37 6.42 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.58 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -116.38 25.73 10.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.4 tttp -141.82 -43.58 0.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.102 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -54.84 125.43 20.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.012 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 27.0 p -59.57 -30.22 68.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -57.54 -33.19 67.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.929 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.7 ' HA ' HD12 ' A' ' 95' ' ' ILE . 0.4 OUTLIER -69.78 -39.6 76.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.785 179.879 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.1 -34.36 78.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.128 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -67.44 -38.46 84.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.7 HD12 ' HA ' ' A' ' 92' ' ' LEU . 9.7 mt -67.53 -34.99 71.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.0 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -35.56 79.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.95 -31.86 21.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -156.92 88.47 2.67 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.948 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -81.71 55.9 5.7 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 122.442 2.095 . . . . 0.0 112.533 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.7 tt -112.68 145.85 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.972 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 106.6 103.09 2.85 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.502 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.536 ' O ' HG22 ' A' ' 105' ' ' THR . 0.0 OUTLIER -64.34 -27.57 69.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.742 0.306 . . . . 0.0 110.994 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -71.94 -28.9 63.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.983 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -69.58 -39.17 77.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.031 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.536 HG22 ' O ' ' A' ' 102' ' ' GLU . 8.8 t -71.42 -34.31 70.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.79 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 8.9 m -71.59 -33.83 69.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.723 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.435 ' CE2' ' HG2' ' A' ' 76' ' ' PRO . 1.2 t80 -69.5 -34.08 73.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.1 tp -68.34 -38.64 81.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.93 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.567 ' O ' HG23 ' A' ' 112' ' ' VAL . 0.1 OUTLIER -69.5 -30.32 68.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.907 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -83.28 -25.19 31.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.964 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 61.3 p -102.55 40.49 1.35 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.952 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 109' ' ' LYS . 19.6 t -91.32 158.94 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.941 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.48 ' N ' HG12 ' A' ' 112' ' ' VAL . 0.1 OUTLIER -98.79 27.13 5.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.141 -179.827 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.146 179.991 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ASN . . . . . 0.512 ' O ' HG23 ' A' ' 86' ' ' ILE . 1.2 t-20 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.683 0.278 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 76.1 p -102.36 125.52 49.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.887 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.497 HG12 ' N ' ' A' ' 122' ' ' CYS . 15.8 t -119.83 161.86 18.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.11 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' CYS . . . . . 0.497 ' N ' HG12 ' A' ' 121' ' ' VAL . 92.4 m -111.62 123.89 51.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.83 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.8 m -123.97 119.01 28.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.765 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.477 -1.179 . . . . 0.0 112.56 -179.978 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.0 tp . . . . . 0 N--CA 1.456 -0.172 0 CA-C-O 120.893 0.378 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.59 126.59 38.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.976 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 15.2 t -124.95 158.74 32.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.034 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.1 mp -107.39 123.35 48.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.783 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.652 HG23 ' O ' ' A' ' 79' ' ' LYS . 11.7 p -60.8 169.27 2.01 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.832 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.485 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 53.4 Cg_exo -52.86 -27.36 34.53 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.389 2.059 . . . . 0.0 111.881 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.96 7.16 46.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.095 179.568 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 19.0 m-20 72.72 37.64 0.83 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.864 0.364 . . . . 0.0 110.94 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.652 ' O ' HG23 ' A' ' 75' ' ' THR . 6.0 tptt -99.7 138.28 20.37 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.461 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_exo -51.53 126.5 19.69 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.425 2.083 . . . . 0.0 112.469 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -147.9 -166.21 12.51 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.179 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.46 151.02 51.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.784 0.326 . . . . 0.0 110.933 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 44.7 t -109.9 125.94 53.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.83 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.403 ' HB ' ' HG3' ' A' ' 88' ' ' LYS . 15.2 m -135.63 157.35 39.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.172 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.409 ' CB ' ' HD3' ' A' ' 88' ' ' LYS . 0.9 OUTLIER -52.06 -177.35 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.304 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.911 HG22 HG23 ' A' ' 121' ' ' VAL . 1.0 OUTLIER -99.07 35.1 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.278 0.561 . . . . 0.0 111.175 -179.695 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.3 pttm -154.23 46.7 0.59 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.434 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.409 ' HD3' ' CB ' ' A' ' 85' ' ' ASN . 0.9 OUTLIER -164.02 -43.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.376 179.667 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 8.6 t -57.43 130.68 47.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.824 0.345 . . . . 0.0 110.877 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 72.4 p -58.39 -34.54 70.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.069 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.589 ' CE1' HD11 ' A' ' 95' ' ' ILE . 63.1 t-80 -59.58 -36.59 76.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.907 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.443 HD21 HG21 ' A' ' 121' ' ' VAL . 1.2 mm? -70.15 -38.82 75.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.715 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.09 -32.99 74.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.049 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -69.69 -39.12 77.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.589 HD11 ' CE1' ' A' ' 91' ' ' HIS . 14.2 mt -70.69 -37.36 68.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.015 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -70.2 -30.92 68.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.812 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -83.33 -33.72 25.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.019 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.34 161.55 24.92 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.979 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.02 162.06 4.35 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.488 2.125 . . . . 0.0 112.271 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 16.0 tt -113.18 151.34 15.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.989 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -151.88 175.39 30.66 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.459 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -66.82 -34.18 77.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.878 0.37 . . . . 0.0 110.987 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -70.01 -33.06 71.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -74.8 -32.05 61.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.9 m -73.49 -33.37 64.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.1 m -72.87 -38.55 66.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -72.2 -34.19 68.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.652 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 9.7 tt -72.1 -34.95 69.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.54 ' O ' HG23 ' A' ' 112' ' ' VAL . 0.1 OUTLIER -70.27 -30.61 67.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 17.5 m-20 -78.68 -26.64 44.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.934 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.3 p -97.24 38.47 1.25 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.863 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 109' ' ' LYS . 17.6 t -101.49 159.73 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.483 ' N ' HG12 ' A' ' 112' ' ' VAL . 0.1 OUTLIER -80.18 58.16 2.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.89 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 58.31 99.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.225 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 120.31 118.02 2.63 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.45 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_exo -51.31 -26.26 20.2 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.587 2.191 . . . . 0.0 112.363 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -135.62 107.91 7.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.963 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -154.6 17.71 0.46 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 46.93 29.2 0.98 Allowed 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.791 0.329 . . . . 0.0 111.333 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -143.85 158.87 43.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.069 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.911 HG23 HG22 ' A' ' 86' ' ' ILE . 12.1 t -139.14 163.05 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.758 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' CYS . . . . . 0.498 ' N ' HG12 ' A' ' 121' ' ' VAL . 16.4 m -111.62 123.92 51.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.887 0.375 . . . . 0.0 110.691 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 10.3 m -119.21 118.86 32.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.82 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.423 ' HA3' HG22 ' A' ' 75' ' ' THR . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.412 -1.216 . . . . 0.0 112.552 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.839 0.352 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.9 128.51 33.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.966 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 19.7 p -124.87 159.34 31.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.035 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -101.82 122.91 44.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.555 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 72.6 p -65.6 168.19 9.06 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.485 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.555 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 76.1 Cg_exo -51.56 -27.64 26.0 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.207 1.938 . . . . 0.0 112.087 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.44 7.17 44.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.104 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 68.14 38.73 2.58 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.848 0.356 . . . . 0.0 111.118 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.43 128.58 32.65 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.406 179.45 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.18 121.99 10.84 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.321 2.014 . . . . 0.0 112.404 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -148.2 -158.3 7.9 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.447 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.1 mtpm? -133.39 146.09 50.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.688 0.28 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 48.5 t -109.92 125.92 53.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.962 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 15.6 m -127.54 156.07 39.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.077 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -56.45 -175.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.828 HD13 HG23 ' A' ' 121' ' ' VAL . 16.5 mm -87.8 51.84 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.143 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.2 ptmt -171.42 35.62 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.9 tttt -151.36 -44.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.083 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -50.26 137.89 17.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.9 m -58.55 -29.98 66.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.844 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -60.78 -32.15 71.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.477 ' O ' HG22 ' A' ' 95' ' ' ILE . 3.7 mm? -65.7 -44.16 86.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.929 0.395 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.53 -35.02 79.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.018 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -71.02 -41.9 70.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.054 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.477 HG22 ' O ' ' A' ' 92' ' ' LEU . 2.2 tp -68.73 -34.83 66.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.012 0.434 . . . . 0.0 110.519 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -62.55 -32.0 72.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.489 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -72.42 -9.88 59.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.295 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 t70 70.02 66.32 0.45 Allowed Pre-proline 0 C--O 1.232 0.156 0 CA-C-O 120.792 0.33 . . . . 0.0 110.836 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -89.26 -167.73 0.29 Allowed 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 123.004 2.469 . . . . 0.0 112.527 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.9 tt -129.46 144.19 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.784 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 133.48 106.65 0.97 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.462 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -67.07 -30.99 71.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.856 0.36 . . . . 0.0 111.059 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -59.73 -30.92 69.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -71.07 -36.65 72.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.68 -36.46 67.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.814 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.6 m -71.56 -33.89 69.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.688 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -68.5 -34.43 75.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.7 mt -68.75 -39.82 80.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -30.77 67.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.907 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -82.78 -28.73 30.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.052 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.36 37.81 1.32 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.99 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.1 p -92.59 131.38 39.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.166 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.2 m -71.42 63.73 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.81 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.74 142.46 58.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.052 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 124.66 -91.34 0.42 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.441 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.87 -47.79 25.54 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.628 2.219 . . . . 0.0 112.195 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -151.79 165.9 33.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.85 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.03 -40.34 13.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.961 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 24.8 m-20 -80.71 80.12 7.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.491 ' N ' HD11 ' A' ' 86' ' ' ILE . 70.0 m -159.23 143.19 15.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.828 HG23 HD13 ' A' ' 86' ' ' ILE . 79.7 t -130.1 157.88 42.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' CYS . . . . . 0.467 ' N ' HG12 ' A' ' 121' ' ' VAL . 1.3 m -111.89 128.9 56.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.991 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 5.5 m -126.31 118.98 26.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.757 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.436 -1.202 . . . . 0.0 112.496 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.764 0.316 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.34 130.4 34.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.711 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 22.3 t -124.95 158.09 34.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.082 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -105.89 125.62 51.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.866 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.54 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 31.0 p -62.42 168.38 4.19 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.688 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.54 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 72.6 Cg_exo -51.81 -24.99 19.79 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.367 2.045 . . . . 0.0 112.082 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.48 9.97 41.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 21.2 m-20 69.71 38.14 1.74 Allowed 'General case' 0 C--N 1.334 -0.103 0 CA-C-O 120.819 0.342 . . . . 0.0 111.013 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.417 ' O ' HG23 ' A' ' 75' ' ' THR . 0.2 OUTLIER -99.16 133.39 22.14 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.508 179.631 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -51.76 125.82 18.07 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.342 2.028 . . . . 0.0 112.448 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -147.32 -162.19 9.85 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.884 -0.675 . . . . 0.0 112.327 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -134.0 152.0 51.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.885 0.374 . . . . 0.0 110.996 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 50.6 t -109.85 125.92 53.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.825 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 18.2 m -140.11 157.05 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.073 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -51.75 178.57 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.302 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.435 ' HA ' HD22 ' A' ' 92' ' ' LEU . 1.4 pp -85.5 3.51 3.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.495 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.3 ptmt -126.15 22.44 7.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.068 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.26 -37.7 2.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.772 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.44 ' HB3' HD12 ' A' ' 92' ' ' LEU . 2.6 t -73.34 126.14 29.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.793 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.9 t -60.44 -33.88 73.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.048 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -61.36 -38.85 88.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.897 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.744 ' HG ' HD21 ' A' ' 108' ' ' LEU . 0.2 OUTLIER -68.28 -40.32 81.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.778 179.898 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.07 -32.46 74.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.59 -38.09 77.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.894 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.531 HD12 ' HA ' ' A' ' 92' ' ' LEU . 11.3 mt -70.51 -37.19 69.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.021 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -70.14 -30.93 68.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.956 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -75.16 -32.16 61.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.011 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -123.52 104.92 33.67 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.941 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.18 62.23 2.59 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.475 2.117 . . . . 0.0 112.286 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.8 pp -148.12 173.86 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.075 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 79.69 81.05 0.77 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.419 ' O ' HG22 ' A' ' 105' ' ' THR . 2.3 mt-10 -62.82 -31.67 72.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.834 0.349 . . . . 0.0 110.949 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -72.11 -27.93 62.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.044 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -73.5 -40.43 64.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.032 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.419 HG22 ' O ' ' A' ' 102' ' ' GLU . 12.8 t -72.12 -29.98 64.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 34.9 m -76.02 -35.68 59.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.77 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.402 ' CE1' ' HG2' ' A' ' 76' ' ' PRO . 1.7 t80 -69.94 -33.86 72.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.611 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.744 HD21 ' HG ' ' A' ' 92' ' ' LEU . 10.8 tp -66.17 -38.85 89.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.413 ' HA ' ' CG1' ' A' ' 112' ' ' VAL . 0.0 OUTLIER -71.02 -31.03 67.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 179.835 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -75.37 -29.19 59.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.748 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.1 t -103.3 41.85 1.22 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.68 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.413 ' CG1' ' HA ' ' A' ' 109' ' ' LYS . 28.1 m -89.86 146.0 6.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.72 62.54 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.895 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.91 156.83 8.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.091 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 121.81 -91.86 0.48 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.417 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -69.13 -169.02 0.27 Allowed 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.475 2.117 . . . . 0.0 112.085 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -130.54 105.4 7.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -179.83 26.48 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.399 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 9.0 m120 43.81 90.77 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.678 0.275 . . . . 0.0 111.378 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 69.7 m -135.68 160.92 37.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.858 0.361 . . . . 0.0 111.186 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.49 HG12 ' N ' ' A' ' 122' ' ' CYS . 13.4 t -131.66 161.58 40.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.937 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' CYS . . . . . 0.49 ' N ' HG12 ' A' ' 121' ' ' VAL . 78.4 m -111.7 123.87 51.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.794 0.33 . . . . 0.0 111.13 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 75.7 m -122.35 118.85 29.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.763 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.389 -1.228 . . . . 0.0 112.516 -179.986 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.6 tp . . . . . 0 C--O 1.227 -0.105 0 CA-C-O 120.779 0.323 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.93 123.23 32.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.733 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 19.8 p -125.0 152.95 43.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.087 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.87 122.83 36.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.835 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.528 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 2.2 p -67.62 164.93 34.47 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.736 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.528 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 9.6 Cg_endo -51.06 -25.68 17.16 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.528 2.152 . . . . 0.0 111.918 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.94 9.21 41.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.109 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.3 m120 64.7 43.38 4.23 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.919 0.39 . . . . 0.0 111.215 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -106.34 118.75 53.94 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.273 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_exo -49.59 121.69 7.6 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.292 1.995 . . . . 0.0 112.347 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -147.64 -156.28 6.94 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.445 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -133.99 150.62 51.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.829 0.347 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 39.5 t -109.89 125.99 53.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.616 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 5.7 m -141.58 157.16 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.959 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -54.32 176.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.189 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.499 HG22 ' CG2' ' A' ' 121' ' ' VAL . 1.0 OUTLIER -80.48 -1.67 4.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.541 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.6 mttm -109.69 22.1 16.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.887 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.6 tttm -136.57 -39.13 0.65 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.781 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -57.21 116.83 3.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.59 -31.75 72.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.933 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 41.4 m-70 -59.8 -35.83 75.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.79 -40.33 83.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.798 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.09 -33.53 76.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.093 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -66.78 -40.81 88.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.766 HG23 ' HG2' ' A' ' 104' ' ' GLU . 27.0 mt -67.61 -34.91 71.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.994 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -67.79 -32.9 73.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.82 -32.52 21.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.96 160.13 61.34 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.8 -172.09 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.644 2.229 . . . . 0.0 112.273 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.6 pt -87.37 -179.48 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 158.43 130.57 1.19 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.507 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -30.76 69.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.82 0.343 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.466 ' O ' HG22 ' A' ' 106' ' ' THR . 1.4 m-20 -63.68 -28.62 70.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.766 ' HG2' HG23 ' A' ' 95' ' ' ILE . 1.3 mp0 -75.16 -34.6 61.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.765 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 57.7 m -74.1 -35.75 64.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.466 HG22 ' O ' ' A' ' 103' ' ' ASP . 4.8 t -72.35 -33.9 67.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.709 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -69.42 -34.12 73.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 38.0 tp -71.9 -38.1 70.0 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.415 ' HA ' ' CG1' ' A' ' 112' ' ' VAL . 9.7 mttt -71.06 -29.28 65.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.005 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -76.07 -29.86 58.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.9 m -105.29 42.2 1.26 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.937 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.415 ' CG1' ' HA ' ' A' ' 109' ' ' LYS . 28.1 m -87.67 131.56 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.201 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.412 ' HB3' ' CB ' ' A' ' 120' ' ' SER . 0.1 OUTLIER -96.98 36.87 1.36 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.875 179.904 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 61.82 101.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.205 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -176.38 132.7 2.14 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.463 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.59 122.61 11.89 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.48 2.12 . . . . 0.0 112.372 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 63.55 -79.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.985 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -159.05 135.55 9.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.445 ' C ' HG23 ' A' ' 86' ' ' ILE . 1.6 t-20 -179.29 -38.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.816 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.412 ' CB ' ' HB3' ' A' ' 113' ' ' CYS . 1.1 m -123.09 134.23 54.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.819 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.499 ' CG2' HG22 ' A' ' 86' ' ' ILE . 11.8 t -140.48 161.89 24.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.065 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' CYS . . . . . 0.477 ' N ' HG12 ' A' ' 121' ' ' VAL . 1.5 m -111.76 124.22 51.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.856 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 18.3 m -129.3 118.98 23.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.817 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.398 -1.223 . . . . 0.0 112.45 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.69 0.281 . . . . 0.0 110.786 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.45 126.4 40.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.861 0.362 . . . . 0.0 110.797 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 17.6 p -134.3 166.02 23.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.081 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.5 mp -98.57 123.54 42.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.806 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.571 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 26.9 p -65.99 167.68 11.17 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.614 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.571 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 76.4 Cg_exo -50.92 -25.61 16.28 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.319 2.013 . . . . 0.0 112.096 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.93 7.82 43.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.104 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 65.22 39.34 5.47 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.9 0.381 . . . . 0.0 111.178 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -107.18 134.78 19.77 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.301 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -50.89 125.46 16.07 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.327 2.018 . . . . 0.0 112.485 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -153.49 -159.45 9.13 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.543 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.9 pttm -133.72 152.32 51.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.69 0.281 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 35.2 t -109.77 128.23 55.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.653 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.4 m -134.25 157.22 41.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.932 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -53.77 -175.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.082 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.708 HD11 HD12 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -96.04 23.84 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 -179.857 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.433 ' HD2' HG23 ' A' ' 86' ' ' ILE . 2.9 mptt -150.49 29.38 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.816 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -131.29 -44.16 1.03 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.8 t -66.7 135.53 54.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.981 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 49.9 p -68.27 -29.93 68.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 44.1 m170 -56.65 -41.57 77.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.726 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.708 HD12 HD11 ' A' ' 86' ' ' ILE . 3.8 mm? -60.67 -40.75 93.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.799 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.03 -34.44 78.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.938 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.76 -43.71 79.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 34.2 mm -66.33 -34.94 73.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.868 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.23 -31.2 71.87 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.844 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.95 -31.27 45.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -139.97 60.79 16.1 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.39 93.73 0.67 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.519 2.146 . . . . 0.0 112.355 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.489 ' C ' HD12 ' A' ' 100' ' ' ILE . 2.6 pp -147.2 171.56 3.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 76.69 112.06 0.14 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.548 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -60.4 -32.27 71.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.793 0.33 . . . . 0.0 110.802 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -63.04 -32.57 73.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.16 -33.57 70.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.17 -36.15 71.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.0 m -69.17 -33.96 74.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -69.97 -34.03 72.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.8 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.11 -35.89 76.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.441 ' O ' HG12 ' A' ' 112' ' ' VAL . 5.0 mttm -71.0 -30.49 66.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -82.35 -29.36 31.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.3 t -97.3 38.54 1.25 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.441 HG12 ' O ' ' A' ' 109' ' ' LYS . 14.4 p -100.97 142.0 16.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.05 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.8 m -95.07 38.71 1.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.05 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -176.01 177.24 1.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.086 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -104.33 -91.94 2.23 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.523 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.88 -59.68 0.97 Allowed 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.611 2.208 . . . . 0.0 112.345 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -60.75 175.71 0.46 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -148.89 30.94 0.79 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -99.45 28.61 4.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.968 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.17 143.82 27.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.536 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.496 HG12 ' N ' ' A' ' 122' ' ' CYS . 15.5 t -146.2 161.9 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.119 -179.659 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' CYS . . . . . 0.496 ' N ' HG12 ' A' ' 121' ' ' VAL . 1.2 m -111.64 123.88 51.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.637 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 32.7 m -116.83 119.22 34.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.906 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.394 -1.225 . . . . 0.0 112.497 -179.938 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.417 ' O ' ' HA ' ' A' ' 82' ' ' LYS . 9.3 mp . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.627 0.251 . . . . 0.0 110.58 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.53 121.72 40.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.948 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.407 ' HB3' ' HB2' ' A' ' 83' ' ' CYS . 25.8 p -124.92 157.95 34.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.909 0.385 . . . . 0.0 111.545 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.0 mp -109.02 122.8 48.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.745 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.539 HG21 ' HE2' ' A' ' 79' ' ' LYS . 3.5 p -74.11 172.83 7.58 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.655 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.481 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 53.4 Cg_exo -52.82 -30.76 48.66 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.297 1.998 . . . . 0.0 111.728 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.87 -7.65 58.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.86 179.368 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.2 m120 70.78 38.88 1.15 Allowed 'General case' 0 C--O 1.231 0.108 0 CA-C-O 121.049 0.452 . . . . 0.0 110.946 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.539 ' HE2' HG21 ' A' ' 75' ' ' THR . 7.0 pttt -104.7 108.5 61.03 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.841 179.257 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -43.52 124.57 4.29 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.51 2.14 . . . . 0.0 112.853 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -142.72 -146.19 4.57 Favored Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.921 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 1.7 mttp -134.16 148.92 51.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.767 0.318 . . . . 0.0 111.132 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.407 ' HB2' ' HB3' ' A' ' 73' ' ' CYS . 14.7 t -109.72 130.09 55.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.018 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.411 ' HB ' ' HB3' ' A' ' 88' ' ' LYS . 21.3 m -141.42 157.07 21.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.93 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 -54.99 -175.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.053 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.661 HG23 ' O ' ' A' ' 119' ' ' ASN . 1.4 pp -90.93 10.76 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.34 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -135.6 27.2 3.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.411 ' HB3' ' HB ' ' A' ' 84' ' ' VAL . 3.0 tttm -125.88 -43.79 1.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -68.69 115.49 8.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.6 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 43.6 p -56.88 -30.6 64.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.205 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -61.15 -35.44 77.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.832 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.618 HD13 ' O ' ' A' ' 86' ' ' ILE . 1.5 tt -70.49 -42.33 71.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.677 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.18 -30.81 71.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.075 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -70.28 -40.53 74.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.978 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.447 HG23 ' HG2' ' A' ' 104' ' ' GLU . 11.8 mt -68.11 -34.87 69.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -68.45 -34.49 76.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.022 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -85.96 -34.94 20.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.065 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -88.56 163.02 37.48 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.854 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -50.51 125.78 16.27 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.557 2.172 . . . . 0.0 112.371 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.3 tt -108.94 157.08 9.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.017 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -146.51 -176.45 20.33 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.451 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -66.02 -32.96 74.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.761 0.315 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -70.64 -32.03 69.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.447 ' HG2' HG23 ' A' ' 95' ' ' ILE . 1.1 tp10 -71.25 -33.55 69.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.0 m -70.46 -36.02 73.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.9 m -72.11 -33.87 68.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.773 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -69.71 -33.99 73.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.744 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.436 HD21 ' HG ' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -68.5 -42.5 78.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.828 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.478 ' O ' HG13 ' A' ' 112' ' ' VAL . 11.5 mtpp -70.98 -31.13 67.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.752 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.55 -31.7 63.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.7 m -97.6 38.3 1.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.798 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.553 HG23 ' H ' ' A' ' 114' ' ' ALA . 35.7 m -89.08 175.59 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.211 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -95.35 28.02 3.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.177 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.553 ' H ' HG23 ' A' ' 112' ' ' VAL . . . 52.79 -179.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.459 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 66.66 137.7 0.04 OUTLIER Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.586 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.431 ' O ' ' O ' ' A' ' 117' ' ' GLU . 73.2 Cg_endo -75.93 159.95 37.51 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.543 2.162 . . . . 0.0 112.294 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' A' ' 116' ' ' PRO . 17.5 pt-20 44.52 104.89 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.184 0.516 . . . . 0.0 111.77 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -171.06 -38.45 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.148 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.661 ' O ' HG23 ' A' ' 86' ' ' ILE . 4.3 m-20 63.68 31.91 14.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.81 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.1 m -109.81 172.18 7.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.783 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.572 HG23 HG22 ' A' ' 86' ' ' ILE . 17.7 t -142.86 159.89 18.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.173 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' CYS . . . . . 0.487 ' N ' HG12 ' A' ' 121' ' ' VAL . 42.7 t -111.65 123.77 50.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.637 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 84.5 m -118.35 120.15 36.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.354 -1.248 . . . . 0.0 112.492 -179.965 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 17.8 tp . . . . . 0 C--O 1.229 0.014 0 CA-C-O 120.743 0.306 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.24 130.55 34.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.68 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.414 ' HB2' ' HB2' ' A' ' 83' ' ' CYS . 36.8 t -124.73 156.32 37.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.304 -179.63 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -116.22 122.86 46.25 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.873 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.614 HG23 ' C ' ' A' ' 124' ' ' GLY . 61.9 p -72.38 169.59 16.23 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.377 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.574 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 75.3 Cg_exo -50.93 -27.36 20.7 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.217 1.945 . . . . 0.0 112.033 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.56 6.25 44.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.073 179.59 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.2 m120 70.66 31.39 2.82 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.344 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 80' ' ' PRO . 26.5 tptp -82.69 128.26 67.01 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.902 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 79' ' ' LYS . 5.9 Cg_exo -78.92 107.97 2.33 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.37 2.046 . . . . 0.0 113.112 -179.059 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.486 ' HA3' ' HA3' ' A' ' 124' ' ' GLY . . . -130.03 -144.94 5.69 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.668 -0.697 . . . . 0.0 112.257 179.208 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.57 152.46 51.8 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.767 0.318 . . . . 0.0 110.917 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.414 ' HB2' ' HB2' ' A' ' 73' ' ' CYS . 17.2 t -109.56 125.66 52.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.387 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 25.3 m -137.56 157.32 33.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.977 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -56.23 -166.31 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.997 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.57 HG22 ' CG2' ' A' ' 121' ' ' VAL . 1.7 pt -97.17 36.11 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.364 0.602 . . . . 0.0 111.158 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.2 pttt -155.16 47.94 0.54 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.02 -46.25 0.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.184 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 2.6 t -65.37 132.96 50.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.051 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.6 m -71.02 -30.0 66.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.955 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -56.31 -34.58 66.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.491 HD11 HG11 ' A' ' 121' ' ' VAL . 8.1 mp -67.8 -40.33 83.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.754 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.95 -32.5 74.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.898 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -66.24 -42.93 87.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.489 HG21 HD11 ' A' ' 108' ' ' LEU . 31.9 mm -68.41 -37.42 77.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.958 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -70.04 -30.94 68.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.937 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -70.61 -30.88 67.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.967 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -145.78 105.35 4.24 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.941 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -68.43 -166.06 0.14 Allowed 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.449 2.099 . . . . 0.0 112.242 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.448 HG22 ' N ' ' A' ' 101' ' ' GLY . 19.2 mm 70.5 157.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.168 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.448 ' N ' HG22 ' A' ' 100' ' ' ILE . . . 108.2 96.89 2.47 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.457 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.0 -33.08 70.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.814 0.34 . . . . 0.0 110.972 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -71.99 -31.07 65.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -72.28 -40.81 67.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.22 -35.21 71.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.705 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 25.0 m -71.34 -34.05 70.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.663 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -66.82 -35.08 79.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.831 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.489 HD11 HG21 ' A' ' 95' ' ' ILE . 8.6 mt -72.11 -39.5 68.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.824 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.8 tmtp? -71.06 -33.41 70.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.943 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -81.56 -28.52 33.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 73.9 m -97.13 37.91 1.29 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.601 HG22 ' H ' ' A' ' 114' ' ' ALA . 11.3 p -90.18 135.73 25.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.006 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.05 29.36 2.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.066 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.601 ' H ' HG22 ' A' ' 112' ' ' VAL . . . -163.36 -175.84 4.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.224 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -117.53 -76.35 0.56 Allowed Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.574 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.26 -34.06 22.54 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.592 2.195 . . . . 0.0 112.307 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.28 172.62 6.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.821 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -136.94 30.35 2.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.87 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.564 ' O ' HG23 ' A' ' 86' ' ' ILE . 5.5 m-20 -78.11 -30.26 49.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.872 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.6 m -100.88 138.95 37.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.789 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.57 ' CG2' HG22 ' A' ' 86' ' ' ILE . 28.3 t -128.8 159.23 40.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.095 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' CYS . . . . . 0.496 ' N ' HG12 ' A' ' 121' ' ' VAL . 42.4 t -111.84 133.11 54.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.616 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 55.8 m -134.08 118.85 18.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.75 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.614 ' C ' HG23 ' A' ' 75' ' ' THR . . . . . . . . 0 C--O 1.246 0.901 0 CA-C-O 118.175 -1.347 . . . . 0.0 112.6 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.228 -0.035 0 CA-C-O 120.807 0.337 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.23 123.24 36.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.497 179.647 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 41.8 t -124.79 148.9 47.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.3 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.9 mp -99.38 122.84 43.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.805 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.559 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 34.0 p -61.9 168.31 3.76 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.504 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.559 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 76.1 Cg_exo -50.88 -24.58 13.94 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.272 1.981 . . . . 0.0 112.275 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.39 6.21 49.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.313 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 70.1 35.56 2.13 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.802 0.334 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.68 118.81 65.86 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.415 179.575 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_exo -50.44 123.6 11.57 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.346 2.031 . . . . 0.0 112.576 -179.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -147.7 -152.4 5.66 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.164 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.6 mttp -133.99 152.08 51.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.77 0.319 . . . . 0.0 110.956 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 52.7 t -109.95 125.95 53.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.836 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 31.6 m -137.65 157.09 33.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.754 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -51.61 177.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.195 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.58 HG22 HG23 ' A' ' 121' ' ' VAL . 1.1 pp -85.5 5.08 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.624 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.8 24.21 5.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.24 -40.76 2.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.934 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 7.8 t -67.36 128.35 36.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.832 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.02 -33.78 75.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.068 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -59.32 -48.88 79.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.948 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.446 HD22 ' HA ' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -59.56 -39.88 85.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.739 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.417 ' HA ' ' HG2' ' A' ' 96' ' ' GLU . . . -65.08 -32.33 73.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.154 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -69.66 -37.65 76.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.823 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 28.6 mm -66.9 -42.0 88.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.074 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.417 ' HG2' ' HA ' ' A' ' 93' ' ' ALA . 12.1 pt-20 -70.11 -35.46 74.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.46 -31.8 71.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.945 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.04 70.71 12.13 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.2 87.41 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.623 2.216 . . . . 0.0 112.231 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.4 mt -137.82 139.27 43.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.169 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.54 99.53 0.79 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.525 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -66.28 -31.14 71.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.766 0.317 . . . . 0.0 110.873 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -69.58 -34.63 74.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.962 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -73.58 -34.56 65.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.748 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 23.3 m -72.75 -31.42 64.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.728 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 26.0 m -70.53 -35.94 73.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.816 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.34 -40.58 89.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.69 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.82 -42.23 95.14 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.687 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -69.1 -31.21 69.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.476 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -67.49 -29.08 68.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.661 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.6 m -94.97 36.93 1.17 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.82 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 120' ' ' SER . 11.9 p -81.81 139.12 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.18 62.95 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.831 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.0 163.24 2.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.209 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 134.7 -149.71 19.92 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.528 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.91 -27.87 25.23 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.569 2.179 . . . . 0.0 112.29 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -97.55 158.97 15.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.962 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -130.03 177.48 7.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.969 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 21.4 m-20 60.07 34.95 21.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.461 ' O ' HG23 ' A' ' 112' ' ' VAL . 2.5 p -126.19 161.05 28.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.991 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.58 HG23 HG22 ' A' ' 86' ' ' ILE . 18.4 t -144.27 160.14 15.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.967 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' CYS . . . . . 0.482 ' N ' HG12 ' A' ' 121' ' ' VAL . 84.2 m -111.85 124.02 51.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.948 0.404 . . . . 0.0 110.728 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 74.8 m -127.29 124.9 39.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.843 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.521 -179.986 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.2 tt . . . . . 0 N--CA 1.456 -0.135 0 CA-C-O 120.735 0.302 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.94 124.67 47.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 26.8 p -129.02 163.61 25.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.143 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.451 HD22 ' OD1' ' A' ' 78' ' ' ASN . 0.6 OUTLIER -97.4 122.84 40.9 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.945 179.887 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.48 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 0.7 OUTLIER -69.88 168.01 20.51 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.563 179.863 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.48 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 8.7 Cg_endo -50.58 -25.36 14.49 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.484 2.123 . . . . 0.0 112.055 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.63 4.77 53.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.318 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.451 ' OD1' HD22 ' A' ' 74' ' ' LEU . 1.2 m-80 67.57 37.28 3.42 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.929 0.395 . . . . 0.0 111.145 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 43.8 mttt -106.97 136.89 19.4 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.433 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.48 117.73 4.13 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.33 2.02 . . . . 0.0 112.334 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -136.01 -154.77 6.98 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.266 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.7 mtmp? -134.13 147.78 50.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.954 0.406 . . . . 0.0 111.109 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 12.5 t -109.8 126.73 54.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.762 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 28.9 m -142.13 157.18 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -51.1 177.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.262 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.445 HD12 ' HD2' ' A' ' 87' ' ' LYS . 1.1 pp -80.24 -1.73 4.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.626 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.445 ' HD2' HD12 ' A' ' 86' ' ' ILE . 1.2 mptp? -112.61 23.4 13.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.34 -39.5 0.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.977 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.33 128.83 35.97 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.869 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.1 p -71.2 -42.1 69.41 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.077 -0.511 . . . . 0.0 112.164 -179.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.67 ' CE1' HG11 ' A' ' 121' ' ' VAL . 4.1 p-80 -55.96 -33.79 65.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.867 0.365 . . . . 0.0 111.098 -179.357 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.572 ' O ' HG22 ' A' ' 95' ' ' ILE . 0.2 OUTLIER -67.59 -42.14 82.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.791 179.85 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.2 -29.97 70.83 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.126 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.1 -43.4 67.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.708 HD13 ' O ' ' A' ' 95' ' ' ILE . 0.0 OUTLIER -67.36 -34.55 69.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.754 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.35 -31.93 73.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.711 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -86.02 -31.89 21.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -92.67 162.51 29.11 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.23 -173.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.638 2.226 . . . . 0.0 112.365 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.2 pt -93.3 179.71 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 173.48 138.31 2.61 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.393 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.56 -32.89 71.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.788 0.328 . . . . 0.0 110.795 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.19 -31.35 72.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -68.02 -35.64 78.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.6 -35.5 65.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -73.04 -33.97 66.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.735 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -70.17 -33.94 72.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.844 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.47 -37.82 80.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.795 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.451 ' O ' HG12 ' A' ' 112' ' ' VAL . 5.2 mttm -71.03 -30.59 66.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.806 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -83.43 -28.44 28.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.1 m -97.1 37.49 1.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.451 HG12 ' O ' ' A' ' 109' ' ' LYS . 13.4 p -101.04 147.66 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.966 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 76.2 m -96.99 36.71 1.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.987 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 56.98 172.36 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.248 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 83.54 94.2 0.63 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.616 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -50.8 -49.86 15.57 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.462 2.108 . . . . 0.0 112.307 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -103.02 107.55 18.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.806 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 177.64 -36.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 67.6 77.86 0.25 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.761 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 60.7 p -144.74 146.6 32.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.67 HG11 ' CE1' ' A' ' 91' ' ' HIS . 10.5 t -128.01 162.5 33.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' CYS . . . . . 0.489 ' N ' HG12 ' A' ' 121' ' ' VAL . 34.9 t -111.69 123.66 50.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.93 0.395 . . . . 0.0 110.744 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 2.0 m -122.56 119.37 30.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.151 0 CA-C-O 118.342 -1.255 . . . . 0.0 112.564 -179.909 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.228 -0.031 0 CA-C-O 120.77 0.319 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.91 124.04 28.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.824 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 17.6 p -124.9 160.08 29.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.976 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -94.03 125.04 38.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.666 HG23 ' O ' ' A' ' 79' ' ' LYS . 18.0 p -61.3 168.77 2.72 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.744 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.498 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 58.5 Cg_exo -52.46 -25.97 26.79 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.393 2.062 . . . . 0.0 112.09 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.88 8.11 45.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.095 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.0 m120 70.95 41.28 0.84 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.838 0.351 . . . . 0.0 110.962 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.666 ' O ' HG23 ' A' ' 75' ' ' THR . 6.2 tttm -106.98 138.75 19.9 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.595 179.699 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.17 125.38 18.19 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.328 2.019 . . . . 0.0 112.279 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -153.37 -163.15 11.54 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.35 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.7 mttp -133.79 152.54 51.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.668 0.271 . . . . 0.0 110.72 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 50.1 t -109.36 125.84 52.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.53 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.443 ' HB ' ' HD3' ' A' ' 88' ' ' LYS . 2.7 m -138.45 157.33 30.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.27 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.86 -176.9 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.089 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.919 HG22 HG23 ' A' ' 121' ' ' VAL . 1.2 pp -98.7 7.55 8.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.589 -179.734 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.51 31.97 4.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.594 -179.556 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.443 ' HD3' ' HB ' ' A' ' 84' ' ' VAL . 0.8 OUTLIER -145.02 -35.1 0.33 Allowed 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.813 179.667 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.443 ' N ' ' HG3' ' A' ' 88' ' ' LYS . 7.6 t -72.02 134.29 45.79 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.841 0.353 . . . . 0.0 110.746 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.41 -33.56 69.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.144 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -59.12 -36.16 74.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.004 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.651 ' HA ' HD12 ' A' ' 95' ' ' ILE . 0.2 OUTLIER -69.15 -39.01 79.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.784 179.883 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.97 -33.13 75.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.112 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -69.47 -39.02 77.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.651 HD12 ' HA ' ' A' ' 92' ' ' LEU . 11.4 mt -66.91 -34.93 73.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.048 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -69.33 -32.16 71.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -70.41 -30.92 67.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -103.79 93.97 5.8 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.37 156.71 63.56 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.428 2.085 . . . . 0.0 112.267 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.424 HG22 ' N ' ' A' ' 101' ' ' GLY . 18.5 mt 61.95 154.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.051 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.424 ' N ' HG22 ' A' ' 100' ' ' ILE . . . 121.68 99.31 1.58 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.541 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.1 -23.99 65.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.777 0.322 . . . . 0.0 111.121 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -60.21 -45.86 91.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.261 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -64.95 -31.88 73.33 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.961 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.489 ' HA ' HD23 ' A' ' 108' ' ' LEU . 5.6 m -71.72 -29.81 64.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 19.8 m -75.61 -33.79 60.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.55 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -70.08 -39.93 75.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.299 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.499 ' C ' HD12 ' A' ' 108' ' ' LEU . 1.7 pp -70.52 -34.79 72.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.758 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.468 ' O ' HG12 ' A' ' 112' ' ' VAL . 0.0 OUTLIER -68.41 -30.29 69.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.855 179.864 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -77.22 -33.47 56.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.928 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 34.2 t -106.95 43.04 1.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.977 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.468 HG12 ' O ' ' A' ' 109' ' ' LYS . 12.4 p -98.79 130.91 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -75.26 63.2 1.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.039 0.447 . . . . 0.0 110.749 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.05 101.15 0.49 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.135 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -152.41 -153.51 6.31 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.544 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.09 -58.78 1.37 Allowed 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.664 2.242 . . . . 0.0 112.285 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -70.72 -179.3 2.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -128.8 160.86 31.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 8.7 m120 60.16 81.24 0.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.943 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 18.2 p -151.67 146.2 25.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.955 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.919 HG23 HG22 ' A' ' 86' ' ' ILE . 35.2 t -130.34 160.72 41.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.709 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' CYS . . . . . 0.515 ' N ' HG12 ' A' ' 121' ' ' VAL . 1.3 m -111.7 123.81 51.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.994 0.426 . . . . 0.0 110.932 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 55.4 m -119.01 118.93 32.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.597 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.409 -1.217 . . . . 0.0 112.535 -179.851 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.622 HD23 ' N ' ' A' ' 72' ' ' SER . 1.1 tt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.843 0.354 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.622 ' N ' HD23 ' A' ' 71' ' ' LEU . 0.3 OUTLIER -84.41 130.81 34.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.645 179.858 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.434 ' HB2' ' HB2' ' A' ' 83' ' ' CYS . 10.7 t -126.18 151.1 47.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.027 -179.666 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.3 mp -100.96 123.71 45.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.775 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.604 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 70.0 p -60.77 162.53 11.76 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.467 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.604 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 7.3 Cg_endo -49.45 -25.04 9.8 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.447 2.098 . . . . 0.0 112.174 179.75 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.71 9.34 43.55 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.391 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 22.9 m-20 70.37 46.8 0.56 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.881 0.372 . . . . 0.0 111.3 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.2 127.99 26.25 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.224 179.44 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -47.94 127.06 14.03 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.43 2.087 . . . . 0.0 112.573 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -151.92 -162.44 10.82 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.433 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.14 152.08 51.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.877 0.37 . . . . 0.0 110.858 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.434 ' HB2' ' HB2' ' A' ' 73' ' ' CYS . 52.4 t -113.36 125.86 54.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 20.0 m -142.14 157.03 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -57.8 -174.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.789 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.558 ' HA ' HD23 ' A' ' 92' ' ' LEU . 0.7 OUTLIER -91.36 49.75 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.974 179.853 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.0 mttm -166.18 32.1 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.778 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.52 -47.22 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.886 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 4.1 t -60.11 124.11 19.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.982 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 47.8 p -58.5 -33.19 69.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.007 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -66.58 -43.85 83.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.558 HD23 ' HA ' ' A' ' 86' ' ' ILE . 6.8 mp -61.38 -38.89 88.66 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.863 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.99 -33.39 75.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.049 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -67.92 -42.89 80.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 39.2 mm -66.47 -34.95 73.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.969 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.2 -33.54 75.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.822 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -81.99 -32.13 30.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.79 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.71 170.39 8.14 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.803 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -50.18 157.59 2.9 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.641 2.227 . . . . 0.0 112.32 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.422 HG22 ' N ' ' A' ' 101' ' ' GLY . 28.6 mm -112.88 155.4 14.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.422 ' N ' HG22 ' A' ' 100' ' ' ILE . . . -155.37 161.23 30.37 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.57 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -59.88 -30.91 69.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.876 0.369 . . . . 0.0 110.953 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.16 -33.66 76.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -73.04 -33.79 65.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.6 m -70.81 -31.84 68.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.776 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.6 m -72.45 -34.54 67.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.37 -34.68 76.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.496 HD23 ' O ' ' A' ' 108' ' ' LEU . 4.6 tt -71.07 -34.98 71.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.52 -32.2 71.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.887 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -77.77 -28.4 50.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.4 p -102.86 41.49 1.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.666 HG22 ' H ' ' A' ' 114' ' ' ALA . 12.2 p -95.93 136.15 27.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 8.9 m -94.0 24.77 4.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.2 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.666 ' H ' HG22 ' A' ' 112' ' ' VAL . . . 56.16 33.2 21.61 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.817 0.342 . . . . 0.0 111.08 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -58.47 139.59 47.93 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.498 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.54 -36.01 2.47 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.508 2.139 . . . . 0.0 112.345 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -156.97 175.78 13.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.034 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.36 9.32 7.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.512 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 46.14 96.27 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 120.834 0.349 . . . . 0.0 111.582 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.96 162.66 13.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.672 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.551 HG21 HD21 ' A' ' 92' ' ' LEU . 20.0 t -144.13 157.35 15.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.328 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' CYS . . . . . 0.46 ' N ' HG12 ' A' ' 121' ' ' VAL . 44.4 t -111.86 129.72 56.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.725 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 26.9 m -130.78 119.08 21.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.321 -1.266 . . . . 0.0 112.53 179.926 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.761 0.315 . . . . 0.0 110.623 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.37 125.42 32.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.954 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 30.0 p -124.95 148.07 48.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.822 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.6 mp -93.82 123.05 36.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.493 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 7.2 p -67.38 167.2 16.22 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.828 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.493 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 67.5 Cg_exo -51.54 -25.43 19.43 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.389 2.059 . . . . 0.0 112.077 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.42 9.96 39.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.181 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 66.38 39.41 4.0 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.908 0.385 . . . . 0.0 110.933 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.6 ttmt -99.74 132.05 23.65 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.334 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -58.9 121.27 9.67 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.368 2.046 . . . . 0.0 112.349 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -147.4 -162.32 9.94 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.465 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.93 146.55 52.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.785 0.326 . . . . 0.0 110.816 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 18.7 t -109.79 125.99 53.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.733 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 6.1 m -139.31 155.33 25.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.979 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -55.53 170.15 0.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.767 HG23 ' O ' ' A' ' 86' ' ' ILE . 0.1 OUTLIER -82.72 57.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.518 0.675 . . . . 0.0 110.666 179.841 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.35 35.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.829 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.7 tttp -147.65 -46.64 0.17 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.864 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.515 ' HB3' HD23 ' A' ' 92' ' ' LEU . 0.6 OUTLIER -72.27 123.22 22.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.964 179.914 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 18.5 p -59.3 -29.99 68.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.957 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 15.1 t-160 -58.06 -38.87 77.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.013 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.609 HD21 HG11 ' A' ' 121' ' ' VAL . 4.5 mm? -68.05 -39.02 83.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.779 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.09 -33.47 76.1 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.024 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -70.9 -38.28 73.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.83 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.497 HD12 ' HA ' ' A' ' 92' ' ' LEU . 12.8 mt -70.67 -34.86 58.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.011 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -70.12 -32.49 70.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -30.96 71.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.773 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -112.3 97.4 39.36 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.828 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -84.16 31.17 0.51 Allowed 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 123.03 2.487 . . . . 0.0 112.715 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.9 mt -128.28 135.05 63.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.769 0.319 . . . . 0.0 110.989 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 109.81 113.54 3.55 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.616 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -55.16 -23.78 23.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.747 0.308 . . . . 0.0 111.183 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -55.67 -27.98 52.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.152 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -65.93 -44.02 86.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.877 0.37 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 77.1 m -72.01 -31.57 66.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.648 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -73.98 -33.9 64.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.824 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.37 -36.96 71.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.0 tp -72.06 -40.63 68.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.786 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -71.18 -29.58 65.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.098 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -87.41 -29.03 21.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.111 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.3 p -110.59 44.12 1.31 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.136 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.704 HG22 ' H ' ' A' ' 114' ' ' ALA . 12.4 p -97.89 134.79 34.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.128 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.3 m -98.34 26.32 5.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.079 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.704 ' H ' HG22 ' A' ' 112' ' ' VAL . . . 56.43 77.32 0.25 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.123 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -130.78 76.9 0.4 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.531 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.64 -49.57 9.96 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.613 2.209 . . . . 0.0 112.233 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -110.9 -28.26 8.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.158 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -85.03 -31.6 23.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.747 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 62.16 100.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.932 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 75.5 m -126.9 157.13 40.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.609 HG11 HD21 ' A' ' 92' ' ' LEU . 15.9 t -141.78 154.97 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.968 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 39.9 t -111.83 123.89 51.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.631 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 14.8 m -109.94 131.66 54.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.819 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.09 0 CA-C-O 118.397 -1.224 . . . . 0.0 112.531 179.893 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.492 HD23 ' N ' ' A' ' 72' ' ' SER . 0.6 OUTLIER . . . . . 0 N--CA 1.458 -0.043 0 CA-C-O 120.785 0.326 . . . . 0.0 110.934 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.492 ' N ' HD23 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -91.4 125.02 36.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.714 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.404 ' HB2' ' HB2' ' A' ' 83' ' ' CYS . 41.2 t -126.06 149.98 48.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.231 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.6 123.33 40.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.614 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.543 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 1.5 p -65.32 166.26 14.4 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.708 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.543 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 9.6 Cg_endo -50.8 -25.35 15.25 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.426 2.084 . . . . 0.0 111.889 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.45 10.07 39.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.214 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 66.18 39.67 4.15 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.953 0.406 . . . . 0.0 111.207 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.22 136.16 19.49 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.246 179.545 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -58.19 120.94 9.15 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.46 2.107 . . . . 0.0 112.484 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -142.99 -159.4 7.93 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.199 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.88 152.1 51.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.861 0.362 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.404 ' HB2' ' HB2' ' A' ' 73' ' ' CYS . 50.1 t -109.8 126.06 53.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.775 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 28.7 m -139.92 157.02 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.071 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -54.84 -178.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.16 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.2 pp -86.89 5.64 3.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.563 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.3 pttt -124.78 23.5 7.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.991 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.95 -40.35 1.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.3 t -69.77 134.17 48.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 68.1 p -65.81 -32.27 73.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.079 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.3 m170 -58.83 -33.79 70.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.003 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.54 ' HA ' HD12 ' A' ' 95' ' ' ILE . 3.9 mm? -69.07 -40.32 78.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.15 -33.99 77.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.121 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -67.04 -38.71 86.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.985 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.738 HG23 ' HB3' ' A' ' 99' ' ' PRO . 12.8 mt -68.78 -36.7 75.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.017 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.21 -31.5 68.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.92 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -82.38 -39.62 22.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.054 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -178.61 100.02 0.21 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.004 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.738 ' HB3' HG23 ' A' ' 95' ' ' ILE . 96.1 Cg_endo -80.58 109.88 2.33 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 122.281 1.987 . . . . 0.0 112.347 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.1 pt -101.62 136.72 32.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.053 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 66.58 114.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.509 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -59.53 -29.13 67.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.776 0.322 . . . . 0.0 110.942 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.8 p30 -58.75 -30.89 67.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.982 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -72.71 -36.06 67.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.1 m -69.99 -33.28 71.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.799 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.7 m -71.42 -34.09 70.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.663 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -66.41 -37.93 86.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.72 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.592 ' HG ' HD11 ' A' ' 95' ' ' ILE . 3.3 mm? -63.42 -45.87 89.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.582 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -31.48 72.36 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.729 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.5 -26.99 64.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.798 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 48.5 m -96.23 35.73 1.42 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.961 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 11.1 p -70.95 127.26 32.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.032 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.56 63.94 0.28 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.999 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.92 -175.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.075 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 76.61 -136.72 19.71 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.469 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -50.51 134.35 39.21 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.45 2.1 . . . . 0.0 112.367 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 61.26 169.91 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -140.07 179.87 6.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 26.8 m120 59.62 30.5 20.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.054 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.4 m -118.85 164.34 15.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.478 HG12 ' N ' ' A' ' 122' ' ' CYS . 17.6 t -133.85 160.45 41.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.994 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' CYS . . . . . 0.478 ' N ' HG12 ' A' ' 121' ' ' VAL . 86.1 m -111.7 123.84 51.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.813 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 15.7 m -116.0 119.01 34.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.09 0 CA-C-O 118.396 -1.224 . . . . 0.0 112.508 -179.945 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.691 0.282 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.49 128.97 45.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.713 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 15.2 p -133.73 166.96 21.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.23 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.2 mp -98.05 122.96 41.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.734 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.516 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 1.1 p -66.36 166.63 16.18 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.689 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.516 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 8.5 Cg_endo -50.32 -25.7 14.2 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.563 2.176 . . . . 0.0 111.987 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.76 7.14 45.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.142 179.698 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 65.62 39.66 4.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.97 0.414 . . . . 0.0 111.117 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -108.71 135.71 20.05 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.328 179.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -52.85 123.33 12.8 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.277 1.985 . . . . 0.0 112.302 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -148.14 -155.74 6.77 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.205 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.2 pttm -134.07 149.12 51.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.891 0.377 . . . . 0.0 111.025 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 52.0 t -109.79 125.98 53.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.608 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 30.1 m -141.53 157.15 21.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.883 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -52.91 -178.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.704 ' HA ' HD22 ' A' ' 92' ' ' LEU . 1.8 pp -87.32 5.07 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.511 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.7 ptmt -127.83 23.02 6.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.031 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -121.96 -38.11 2.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.828 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.5 t -75.76 113.21 12.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.723 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.7 m -57.13 -39.43 75.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.078 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.8 -37.16 83.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.706 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.704 HD22 ' HA ' ' A' ' 86' ' ' ILE . 1.3 tp -65.5 -39.49 91.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.89 -34.01 77.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -66.09 -43.52 87.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.637 HG23 ' OE1' ' A' ' 104' ' ' GLU . 37.3 mm -65.73 -36.44 77.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.069 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.11 -31.06 68.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.953 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -85.96 -32.34 21.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -124.12 72.41 55.56 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.078 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -77.16 108.55 2.65 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.629 2.219 . . . . 0.0 112.398 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 9.7 pt -126.62 119.08 52.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.265 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 74.66 126.64 0.16 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.59 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.46 -24.02 42.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.79 0.329 . . . . 0.0 111.214 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -57.42 -30.54 65.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.104 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.637 ' OE1' HG23 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -73.59 -31.79 63.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.962 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.414 ' N ' ' HG3' ' A' ' 104' ' ' GLU . 2.3 m -72.25 -37.13 69.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.987 0.423 . . . . 0.0 110.865 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 24.5 m -70.25 -34.0 72.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.655 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -67.23 -34.97 78.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.829 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.4 tt -69.97 -38.54 76.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.759 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.82 -31.97 68.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.785 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -69.87 -29.18 66.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.986 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 11.5 p -96.92 37.32 1.31 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.3 p -87.27 128.56 39.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.201 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.78 64.05 0.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.105 0.479 . . . . 0.0 110.856 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -74.37 99.49 3.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.078 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 168.31 -75.75 0.12 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.529 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -70.01 -27.97 24.64 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.537 2.158 . . . . 0.0 112.228 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -162.41 167.88 22.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -81.6 -64.74 1.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -74.52 74.8 1.96 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.83 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 58.8 m -143.93 147.61 34.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.534 ' CG2' HG22 ' A' ' 86' ' ' ILE . 10.0 t -131.49 162.06 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' CYS . . . . . 0.483 ' N ' HG12 ' A' ' 121' ' ' VAL . 1.3 m -111.8 123.89 51.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.884 0.374 . . . . 0.0 111.156 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 85.4 m -122.21 118.87 29.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.594 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.091 0 CA-C-O 118.372 -1.238 . . . . 0.0 112.54 -179.875 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.4 tp . . . . . 0 CA--C 1.526 0.055 0 CA-C-O 120.832 0.348 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.87 127.74 32.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.718 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.431 ' HB2' ' HB2' ' A' ' 83' ' ' CYS . 43.4 t -124.87 156.11 38.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.184 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.4 mp -105.53 126.15 51.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.928 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.541 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 35.8 p -61.98 168.55 3.57 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.523 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.541 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 71.9 Cg_exo -51.62 -24.8 18.21 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.302 2.002 . . . . 0.0 112.144 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.12 9.69 42.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 70.45 36.38 1.74 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.878 0.37 . . . . 0.0 110.957 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.84 124.14 57.49 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.638 179.682 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.11 125.48 17.46 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.412 2.075 . . . . 0.0 112.315 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -151.52 -156.82 7.6 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.528 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -131.55 152.21 50.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.816 0.341 . . . . 0.0 110.871 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.431 ' HB2' ' HB2' ' A' ' 73' ' ' CYS . 43.3 t -109.9 129.52 55.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.995 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 21.7 m -142.03 157.08 20.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.043 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -55.4 -174.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.667 HD12 HG21 ' A' ' 121' ' ' VAL . 1.5 tp -97.39 27.61 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.152 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.2 mtpp -144.64 29.38 1.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -134.57 -52.25 0.81 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.969 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 2.7 t -58.14 126.62 28.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.926 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -64.9 -31.6 72.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.937 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 -59.72 -33.42 71.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.632 HD21 HD21 ' A' ' 108' ' ' LEU . 0.1 OUTLIER -69.83 -39.65 76.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.32 -32.12 73.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.175 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.61 -42.95 70.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.186 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.496 HG22 ' O ' ' A' ' 92' ' ' LEU . 0.6 OUTLIER -69.62 -34.85 63.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.717 179.885 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -68.97 -30.94 69.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.709 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.51 -31.7 67.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.842 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -165.99 81.43 1.08 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -73.97 137.53 24.37 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.588 2.192 . . . . 0.0 112.343 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.66 ' N ' HD13 ' A' ' 100' ' ' ILE . 0.2 OUTLIER -151.1 169.51 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.065 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 64.46 112.82 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.448 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -60.27 -31.0 69.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.798 0.332 . . . . 0.0 111.003 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -72.11 -30.95 65.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.012 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -72.0 -40.75 68.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.017 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 9.8 t -71.0 -33.16 70.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 57.3 m -73.69 -34.99 65.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -69.83 -34.02 73.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.691 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.632 HD21 HD21 ' A' ' 92' ' ' LEU . 2.3 tt -66.21 -40.97 90.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.533 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -71.0 -30.12 66.26 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.606 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -72.63 -22.03 61.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.926 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.54 32.32 1.41 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.012 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.631 HG22 ' H ' ' A' ' 114' ' ' ALA . 12.9 p -77.27 144.86 10.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-O 120.989 0.423 . . . . 0.0 110.708 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.4 15.86 8.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.794 -179.583 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.631 ' H ' HG22 ' A' ' 112' ' ' VAL . . . 35.3 36.15 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.934 179.699 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.417 ' HA2' ' HD3' ' A' ' 116' ' ' PRO . . . -106.27 146.93 16.13 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.85 -179.492 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.417 ' HD3' ' HA2' ' A' ' 115' ' ' GLY . 24.3 Cg_exo -63.18 -148.65 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.663 2.242 . . . . 0.0 112.1 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 79.01 -68.95 0.13 Allowed 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.074 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -166.08 -52.39 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.885 0.374 . . . . 0.0 110.625 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 15.8 t30 179.73 106.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.2 p -96.68 135.47 38.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.47 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.667 HG21 HD12 ' A' ' 86' ' ' ILE . 15.2 t -119.99 162.15 18.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.244 -179.499 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' CYS . . . . . 0.501 ' N ' HG12 ' A' ' 121' ' ' VAL . 95.6 m -111.51 123.91 51.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.616 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 61.7 m -122.38 118.86 29.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.999 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 CA-C-O 118.408 -1.218 . . . . 0.0 112.516 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.526 0.022 0 CA-C-O 120.764 0.316 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.85 127.4 34.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.822 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.402 ' HB2' ' HB2' ' A' ' 83' ' ' CYS . 42.9 t -124.97 155.54 39.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.032 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mp -100.81 122.94 44.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.783 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.564 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 70.4 p -65.54 168.17 8.98 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.637 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.564 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 74.4 Cg_exo -51.5 -27.91 26.48 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.319 2.012 . . . . 0.0 112.064 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.52 7.33 43.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.091 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 16.9 m120 67.32 39.78 2.9 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.842 0.353 . . . . 0.0 111.177 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.1 mmtm -104.63 132.75 20.64 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.29 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -50.46 126.39 17.67 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.392 2.061 . . . . 0.0 112.521 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -147.08 -159.28 8.23 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.285 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.02 152.05 51.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.766 0.317 . . . . 0.0 111.003 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.402 ' HB2' ' HB2' ' A' ' 73' ' ' CYS . 52.0 t -111.8 129.1 56.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.984 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 5.5 m -141.92 156.96 20.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.972 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -55.05 177.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.512 HD12 HG21 ' A' ' 121' ' ' VAL . 0.7 OUTLIER -91.68 48.26 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.111 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -170.1 34.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.471 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.2 tttm -143.65 -45.7 0.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 18.8 t -59.57 118.37 5.99 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 29.2 p -58.9 -32.88 69.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.017 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 7.2 m80 -63.95 -37.21 86.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.424 HD11 HD11 ' A' ' 108' ' ' LEU . 0.1 OUTLIER -68.24 -37.94 81.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.756 179.869 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.2 -33.47 75.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.111 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -70.6 -40.01 73.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.402 HG22 ' CG ' ' A' ' 104' ' ' GLU . 23.3 mt -67.07 -34.97 73.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.881 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -64.55 -36.61 84.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.671 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.27 -35.7 40.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.766 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.422 ' CB ' ' HD2' ' A' ' 99' ' ' PRO . 1.1 m-20 -62.93 166.76 7.16 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.737 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.422 ' HD2' ' CB ' ' A' ' 98' ' ' ASP . 9.8 Cg_endo -51.1 120.0 6.15 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.566 2.177 . . . . 0.0 112.087 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.4 tt -83.15 142.62 13.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 CA-C-O 121.185 0.517 . . . . 0.0 111.029 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -170.04 -176.76 39.89 Favored Glycine 0 N--CA 1.451 -0.317 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.408 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -59.83 -30.3 68.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.818 0.342 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -69.32 -31.78 70.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.957 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.402 ' CG ' HG22 ' A' ' 95' ' ' ILE . 0.6 OUTLIER -66.84 -37.02 83.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 18.6 m -72.89 -33.98 66.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.707 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 19.3 m -71.52 -34.06 69.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.759 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -67.55 -35.25 78.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.432 HD21 HD11 ' A' ' 86' ' ' ILE . 1.5 mp -71.91 -36.86 70.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.867 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.661 ' O ' HG13 ' A' ' 112' ' ' VAL . 2.9 tptp -69.85 -31.51 69.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.919 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -72.62 -31.02 64.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 50.6 m -102.59 41.1 1.27 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.661 HG13 ' O ' ' A' ' 109' ' ' LYS . 35.4 m -83.3 143.19 12.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.066 0.46 . . . . 0.0 111.001 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.1 24.61 5.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.189 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 55.07 62.39 2.52 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.977 0.417 . . . . 0.0 111.349 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -165.07 82.09 0.11 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.522 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -79.98 2.35 8.5 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.679 2.253 . . . . 0.0 112.808 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -93.79 -32.63 13.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.829 0.347 . . . . 0.0 111.151 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -111.63 -15.08 13.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.327 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 66.49 77.83 0.27 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.933 0.397 . . . . 0.0 110.831 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 28.0 t -107.26 170.66 7.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.847 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.512 HG21 HD12 ' A' ' 86' ' ' ILE . 21.6 t -145.47 157.5 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.075 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' CYS . . . . . 0.461 ' N ' HG12 ' A' ' 121' ' ' VAL . 49.1 m -112.03 125.19 53.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.81 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 55.6 m -123.57 124.95 43.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.347 -1.252 . . . . 0.0 112.509 -179.961 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.0 tp . . . . . 0 C--O 1.228 -0.037 0 CA-C-O 120.674 0.273 . . . . 0.0 110.617 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.28 121.7 36.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.033 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 15.1 p -125.02 166.85 15.62 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.017 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.41 HD23 ' C ' ' A' ' 78' ' ' ASN . 0.4 OUTLIER -95.5 122.92 38.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.969 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.433 ' CB ' ' HD2' ' A' ' 76' ' ' PRO . 0.5 OUTLIER -66.14 167.88 10.97 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.741 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.433 ' HD2' ' CB ' ' A' ' 75' ' ' THR . 10.0 Cg_endo -51.58 -25.3 19.32 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.469 2.112 . . . . 0.0 111.989 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.01 8.59 43.29 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.071 179.699 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.41 ' C ' HD23 ' A' ' 74' ' ' LEU . 3.6 m120 68.33 38.81 2.41 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.823 0.344 . . . . 0.0 111.048 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.69 133.58 20.2 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.492 179.595 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -56.84 120.02 7.65 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.354 2.036 . . . . 0.0 112.243 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -143.3 -150.8 5.36 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.361 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.05 147.39 50.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.79 0.329 . . . . 0.0 110.97 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 40.6 t -109.84 125.96 53.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.738 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 4.7 m -137.81 157.27 32.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.868 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -52.31 -178.09 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.117 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.88 HD12 HG21 ' A' ' 121' ' ' VAL . 2.1 tp -93.84 23.39 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.417 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -145.01 33.88 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.947 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -141.15 -49.48 0.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.174 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 36.9 t -54.17 129.22 34.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.206 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.7 t -69.0 -35.72 77.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.842 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -60.57 -38.37 84.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.654 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.42 -40.22 96.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.78 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.06 -34.06 77.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.936 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -64.97 -41.95 94.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.826 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 30.7 mm -69.47 -37.38 74.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.884 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -70.03 -32.81 71.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.808 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -69.62 -31.66 69.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.951 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -88.79 171.15 9.6 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -51.57 178.1 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.626 2.217 . . . . 0.0 112.29 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.9 mt -122.5 150.5 26.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.049 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -168.38 169.05 41.34 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.527 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -60.87 -34.3 74.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.834 0.35 . . . . 0.0 110.87 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.66 -33.02 74.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.789 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.71 -31.93 65.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.782 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.65 -34.86 74.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.4 m -71.71 -37.54 70.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.805 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -68.21 -33.98 75.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.38 -43.52 73.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.79 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.25 -26.17 68.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -83.82 -27.1 29.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.08 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.59 46.37 1.63 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.092 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 9.3 p -125.77 149.75 30.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.187 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.1 m -90.24 51.01 1.94 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.697 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -70.73 101.99 2.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -169.19 -77.98 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.51 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -72.27 -28.67 15.05 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.583 2.188 . . . . 0.0 112.299 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -141.24 -176.81 4.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.935 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.31 -24.66 21.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -92.65 -138.66 0.19 Allowed 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.477 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 66.48 142.08 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.853 0.359 . . . . 0.0 110.89 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.88 HG21 HD12 ' A' ' 86' ' ' ILE . 12.3 t -139.36 159.24 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.198 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' CYS . . . . . 0.452 ' N ' HG12 ' A' ' 121' ' ' VAL . 1.3 m -111.89 123.96 51.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.769 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 86.5 m -132.33 119.0 20.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.815 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.174 0 CA-C-O 118.362 -1.243 . . . . 0.0 112.538 -179.975 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.55 HD23 ' N ' ' A' ' 72' ' ' SER . 2.2 tt . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.856 0.36 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.55 ' N ' HD23 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -102.27 121.97 43.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.796 179.883 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 27.8 p -124.84 153.93 41.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.973 0.416 . . . . 0.0 111.207 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.7 mp -93.85 122.83 36.75 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.753 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.462 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 1.8 p -67.08 166.26 21.3 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.755 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.462 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 74.5 Cg_exo -49.61 -36.95 42.22 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.374 2.049 . . . . 0.0 112.077 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.442 ' O ' ' CB ' ' A' ' 78' ' ' ASN . 14.8 p30 -74.53 -21.02 59.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.716 179.411 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.442 ' CB ' ' O ' ' A' ' 77' ' ' ASP . 33.9 m-80 89.0 45.77 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.948 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.6 tttm -114.11 135.94 22.16 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.834 179.172 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_exo -50.54 123.86 12.2 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.132 1.888 . . . . 0.0 112.606 -179.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -142.06 -157.79 7.29 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.126 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 53.6 pttt -134.16 147.26 50.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.881 0.372 . . . . 0.0 111.039 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.4 t -109.71 125.53 52.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.548 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.465 HG23 ' HB2' ' A' ' 89' ' ' CYS . 21.4 m -142.15 157.13 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.246 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -56.35 -176.0 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.181 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.631 HG22 ' CG2' ' A' ' 121' ' ' VAL . 18.2 pt -88.06 3.81 5.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.503 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -123.8 26.95 7.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.969 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 25.5 tptp -134.51 -42.15 0.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.799 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.465 ' HB2' HG23 ' A' ' 84' ' ' VAL . 4.5 t -69.13 116.73 9.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.949 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 16.4 m -59.29 -29.99 67.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.971 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.66 -38.8 78.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.78 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -62.09 -41.24 97.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.736 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.99 -34.53 78.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.893 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -67.36 -43.31 81.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.907 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.409 HG22 HD11 ' A' ' 100' ' ' ILE . 33.9 mm -66.3 -34.94 73.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.827 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.28 -31.36 72.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.733 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -77.12 -30.84 55.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.72 119.99 72.48 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.82 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.75 106.41 0.17 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.549 2.166 . . . . 0.0 112.322 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.409 HD11 HG22 ' A' ' 95' ' ' ILE . 2.4 pp -153.16 158.79 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.183 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -132.9 -81.72 0.19 Allowed Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.554 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -58.91 -32.08 69.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.891 0.377 . . . . 0.0 110.976 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -60.13 -30.04 69.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.964 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -72.47 -34.36 67.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 11.3 m -69.43 -37.94 77.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.61 -34.44 67.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.761 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -71.96 -33.97 68.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.733 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.02 -38.08 75.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm -71.12 -29.76 65.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.964 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 12.2 m-20 -88.71 -30.35 19.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.082 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 64.0 m -101.22 39.0 1.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.082 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.9 p -105.75 147.96 10.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.016 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -96.25 33.51 1.75 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.993 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 54.55 40.82 32.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.223 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 59.98 74.33 0.38 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.421 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.33 -43.47 3.0 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.461 2.107 . . . . 0.0 112.334 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -140.91 -69.17 0.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -149.94 -50.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.829 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -143.59 107.88 4.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.806 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.1 m -152.34 172.76 15.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.017 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.631 ' CG2' HG22 ' A' ' 86' ' ' ILE . 12.3 t -142.79 157.74 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' CYS . . . . . 0.419 ' N ' HG12 ' A' ' 121' ' ' VAL . 40.5 t -111.64 124.81 53.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.694 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 13.0 m -121.36 123.79 43.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.874 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.371 -1.238 . . . . 0.0 112.473 179.956 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.55 HD23 ' N ' ' A' ' 72' ' ' SER . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.791 0.329 . . . . 0.0 111.035 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.55 ' N ' HD23 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -100.56 127.13 47.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.787 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 24.1 p -125.21 161.93 25.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.874 0.369 . . . . 0.0 111.132 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.2 mp -102.96 122.92 45.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.856 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.537 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 2.3 p -65.06 165.39 16.52 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.685 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.537 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 9.6 Cg_endo -50.8 -25.02 14.49 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.562 2.175 . . . . 0.0 112.111 179.653 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.52 9.2 43.05 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.183 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.9 m120 67.63 40.67 2.47 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.839 0.352 . . . . 0.0 111.106 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.15 129.19 25.6 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.368 179.448 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.14 123.71 13.19 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.199 1.933 . . . . 0.0 112.437 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -145.46 -159.19 8.01 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.385 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 27.3 mmtt -133.72 146.56 50.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.909 0.385 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 53.6 t -109.87 126.9 54.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.825 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.3 m -141.24 157.09 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.981 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -50.66 176.43 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.195 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.606 HG22 HG23 ' A' ' 121' ' ' VAL . 1.0 OUTLIER -83.22 0.68 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.569 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -123.14 22.55 9.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.966 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.84 -38.45 2.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.756 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 2.9 t -72.9 115.12 11.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.715 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.27 -33.57 67.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.004 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.24 -38.19 82.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.946 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.506 ' O ' HG22 ' A' ' 95' ' ' ILE . 0.4 OUTLIER -69.72 -38.09 76.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.71 179.776 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.25 -32.78 74.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.224 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.17 -43.57 73.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.047 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.506 HG22 ' O ' ' A' ' 92' ' ' LEU . 0.7 OUTLIER -69.75 -34.73 62.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.682 179.84 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -69.08 -32.85 72.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.716 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -67.12 -31.73 72.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.739 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.405 ' CB ' ' HD2' ' A' ' 99' ' ' PRO . 2.4 m-20 -102.84 166.01 12.67 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.739 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.405 ' HD2' ' CB ' ' A' ' 98' ' ' ASP . 9.4 Cg_endo -52.36 149.57 22.63 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.573 2.182 . . . . 0.0 112.11 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.8 mp -103.92 142.27 17.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.33 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -134.39 -167.3 11.45 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.388 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -67.07 -31.69 72.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.732 0.301 . . . . 0.0 110.971 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -64.31 -29.94 71.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -71.96 -37.64 69.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.7 m -70.66 -38.52 73.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.827 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 64.3 m -69.25 -33.92 74.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.758 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.15 -41.72 73.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.72 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.597 HD13 ' O ' ' A' ' 108' ' ' LEU . 0.2 OUTLIER -64.21 -36.47 84.19 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.841 179.872 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.453 ' O ' HG12 ' A' ' 112' ' ' VAL . 20.9 mtpt -63.54 -39.2 93.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.284 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.412 ' OD1' ' N ' ' A' ' 111' ' ' SER . 22.1 p30 -88.19 -27.49 21.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.208 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.412 ' N ' ' OD1' ' A' ' 110' ' ' ASN . 0.2 OUTLIER -97.01 32.15 2.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.007 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.453 HG12 ' O ' ' A' ' 109' ' ' LYS . 12.2 p -99.14 143.36 13.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.937 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 98.0 m -96.62 35.39 1.51 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.956 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 57.12 -170.85 0.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.174 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 86.21 108.98 0.78 Allowed Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.451 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -50.65 -61.49 0.55 Allowed 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.524 2.149 . . . . 0.0 112.316 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.8 pm0 -118.85 117.36 28.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.824 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.3 t0 178.91 -35.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 68.82 86.58 0.13 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -141.99 163.81 31.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.778 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.606 HG23 HG22 ' A' ' 86' ' ' ILE . 20.6 t -144.94 158.4 14.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.044 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' CYS . . . . . 0.471 ' N ' HG12 ' A' ' 121' ' ' VAL . 50.3 t -111.74 123.75 50.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.785 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 13.2 m -117.91 119.04 33.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.8 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.532 179.926 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.5 tp . . . . . 0 N--CA 1.458 -0.042 0 CA-C-O 120.773 0.32 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.73 131.56 37.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.859 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.456 ' HB2' ' HB2' ' A' ' 83' ' ' CYS . 13.4 t -124.95 158.99 32.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.237 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.5 mp -105.55 125.57 51.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.796 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.536 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 30.6 p -60.95 168.85 2.35 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.623 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.536 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 64.2 Cg_exo -52.04 -24.73 20.4 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.247 1.965 . . . . 0.0 112.029 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -98.02 9.27 43.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.181 179.619 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 71.36 35.83 1.45 Allowed 'General case' 0 C--N 1.334 -0.097 0 CA-C-O 121.002 0.43 . . . . 0.0 110.931 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -96.79 142.5 24.63 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.451 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_endo -58.16 121.99 10.94 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.376 2.051 . . . . 0.0 112.266 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -141.16 -158.8 7.67 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.388 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.04 152.18 51.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.885 0.374 . . . . 0.0 111.116 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.456 ' HB2' ' HB2' ' A' ' 73' ' ' CYS . 41.0 t -110.31 125.65 53.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.814 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 29.1 m -142.39 157.11 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.961 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.02 -170.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.78 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.512 HG23 ' O ' ' A' ' 119' ' ' ASN . 18.2 pt -87.37 6.42 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.58 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -116.38 25.73 10.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.4 tttp -141.82 -43.58 0.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.102 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -54.84 125.43 20.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.012 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 27.0 p -59.57 -30.22 68.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -57.54 -33.19 67.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.929 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.7 ' HA ' HD12 ' A' ' 95' ' ' ILE . 0.4 OUTLIER -69.78 -39.6 76.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.785 179.879 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.1 -34.36 78.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.128 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -67.44 -38.46 84.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.7 HD12 ' HA ' ' A' ' 92' ' ' LEU . 9.7 mt -67.53 -34.99 71.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.0 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -35.56 79.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.95 -31.86 21.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -156.92 88.47 2.67 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.948 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -81.71 55.9 5.7 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 122.442 2.095 . . . . 0.0 112.533 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.7 tt -112.68 145.85 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.972 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 106.6 103.09 2.85 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.502 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.536 ' O ' HG22 ' A' ' 105' ' ' THR . 0.0 OUTLIER -64.34 -27.57 69.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.742 0.306 . . . . 0.0 110.994 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -71.94 -28.9 63.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.983 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -69.58 -39.17 77.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.031 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.536 HG22 ' O ' ' A' ' 102' ' ' GLU . 8.8 t -71.42 -34.31 70.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.79 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 8.9 m -71.59 -33.83 69.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.723 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.435 ' CE2' ' HG2' ' A' ' 76' ' ' PRO . 1.2 t80 -69.5 -34.08 73.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.1 tp -68.34 -38.64 81.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.93 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.567 ' O ' HG23 ' A' ' 112' ' ' VAL . 0.1 OUTLIER -69.5 -30.32 68.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.907 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -83.28 -25.19 31.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.964 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 61.3 p -102.55 40.49 1.35 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.952 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 109' ' ' LYS . 19.6 t -91.32 158.94 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.941 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.48 ' N ' HG12 ' A' ' 112' ' ' VAL . 0.1 OUTLIER -98.79 27.13 5.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.141 -179.827 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -179.37 153.75 0.6 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.146 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -83.12 -64.4 1.66 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.542 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.95 -45.06 0.5 Allowed 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.65 2.233 . . . . 0.0 112.391 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.63 166.39 15.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -147.73 29.38 0.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.084 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.512 ' O ' HG23 ' A' ' 86' ' ' ILE . 1.2 t-20 -107.26 -24.98 11.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.906 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 76.1 p -102.36 125.52 49.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.887 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.497 HG12 ' N ' ' A' ' 122' ' ' CYS . 15.8 t -119.83 161.86 18.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.11 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' CYS . . . . . 0.497 ' N ' HG12 ' A' ' 121' ' ' VAL . 92.4 m -111.62 123.89 51.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.83 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.8 m -123.97 119.01 28.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.765 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.477 -1.179 . . . . 0.0 112.56 -179.978 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.0 tp . . . . . 0 N--CA 1.456 -0.172 0 CA-C-O 120.893 0.378 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.59 126.59 38.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.976 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 15.2 t -124.95 158.74 32.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.034 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.1 mp -107.39 123.35 48.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.783 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.652 HG23 ' O ' ' A' ' 79' ' ' LYS . 11.7 p -60.8 169.27 2.01 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.832 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.485 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 53.4 Cg_exo -52.86 -27.36 34.53 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.389 2.059 . . . . 0.0 111.881 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.96 7.16 46.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.095 179.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 19.0 m-20 72.72 37.64 0.83 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.864 0.364 . . . . 0.0 110.94 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.652 ' O ' HG23 ' A' ' 75' ' ' THR . 6.0 tptt -99.7 138.28 20.37 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.461 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_exo -51.53 126.5 19.69 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.425 2.083 . . . . 0.0 112.469 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -147.9 -166.21 12.51 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.179 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.46 151.02 51.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.784 0.326 . . . . 0.0 110.933 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 44.7 t -109.9 125.94 53.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.83 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.403 ' HB ' ' HG3' ' A' ' 88' ' ' LYS . 15.2 m -135.63 157.35 39.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.172 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.409 ' CB ' ' HD3' ' A' ' 88' ' ' LYS . 0.9 OUTLIER -52.06 -177.35 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.304 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.911 HG22 HG23 ' A' ' 121' ' ' VAL . 1.0 OUTLIER -99.07 35.1 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.278 0.561 . . . . 0.0 111.175 -179.695 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.3 pttm -154.23 46.7 0.59 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.434 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.409 ' HD3' ' CB ' ' A' ' 85' ' ' ASN . 0.9 OUTLIER -164.02 -43.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.376 179.667 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 8.6 t -57.43 130.68 47.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.824 0.345 . . . . 0.0 110.877 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 72.4 p -58.39 -34.54 70.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.069 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.589 ' CE1' HD11 ' A' ' 95' ' ' ILE . 63.1 t-80 -59.58 -36.59 76.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.907 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.443 HD21 HG21 ' A' ' 121' ' ' VAL . 1.2 mm? -70.15 -38.82 75.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.715 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.09 -32.99 74.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.049 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -69.69 -39.12 77.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.589 HD11 ' CE1' ' A' ' 91' ' ' HIS . 14.2 mt -70.69 -37.36 68.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.015 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -70.2 -30.92 68.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.812 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -83.33 -33.72 25.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.019 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.34 161.55 24.92 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.979 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.02 162.06 4.35 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.488 2.125 . . . . 0.0 112.271 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 16.0 tt -113.18 151.34 15.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.989 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -151.88 175.39 30.66 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.459 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -66.82 -34.18 77.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.878 0.37 . . . . 0.0 110.987 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -70.01 -33.06 71.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -74.8 -32.05 61.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.9 m -73.49 -33.37 64.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.1 m -72.87 -38.55 66.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -72.2 -34.19 68.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.652 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 9.7 tt -72.1 -34.95 69.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.54 ' O ' HG23 ' A' ' 112' ' ' VAL . 0.1 OUTLIER -70.27 -30.61 67.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 17.5 m-20 -78.68 -26.64 44.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.934 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.3 p -97.24 38.47 1.25 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.863 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 109' ' ' LYS . 17.6 t -101.49 159.73 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.483 ' N ' HG12 ' A' ' 112' ' ' VAL . 0.1 OUTLIER -80.18 58.16 2.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.89 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.225 -179.971 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 . . . . . 0 N--CA 1.461 0.087 0 CA-C-O 120.791 0.329 . . . . 0.0 111.333 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -143.85 158.87 43.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.069 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.911 HG23 HG22 ' A' ' 86' ' ' ILE . 12.1 t -139.14 163.05 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.758 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . 0.498 ' N ' HG12 ' A' ' 121' ' ' VAL . 16.4 m -111.62 123.92 51.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.887 0.375 . . . . 0.0 110.691 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 10.3 m -119.21 118.86 32.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.82 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . 0.423 ' HA3' HG22 ' A' ' 75' ' ' THR . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.412 -1.216 . . . . 0.0 112.552 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.839 0.352 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.9 128.51 33.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.966 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 19.7 p -124.87 159.34 31.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.035 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -101.82 122.91 44.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.555 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 72.6 p -65.6 168.19 9.06 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.485 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.555 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 76.1 Cg_exo -51.56 -27.64 26.0 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.207 1.938 . . . . 0.0 112.087 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.44 7.17 44.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.104 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 68.14 38.73 2.58 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.848 0.356 . . . . 0.0 111.118 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.43 128.58 32.65 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.406 179.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.18 121.99 10.84 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.321 2.014 . . . . 0.0 112.404 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -148.2 -158.3 7.9 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.447 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.1 mtpm? -133.39 146.09 50.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.688 0.28 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 48.5 t -109.92 125.92 53.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.962 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 15.6 m -127.54 156.07 39.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.077 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -56.45 -175.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.828 HD13 HG23 ' A' ' 121' ' ' VAL . 16.5 mm -87.8 51.84 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.143 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.2 ptmt -171.42 35.62 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.9 tttt -151.36 -44.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.083 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -50.26 137.89 17.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.9 m -58.55 -29.98 66.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.844 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -60.78 -32.15 71.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.477 ' O ' HG22 ' A' ' 95' ' ' ILE . 3.7 mm? -65.7 -44.16 86.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.929 0.395 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.53 -35.02 79.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.018 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -71.02 -41.9 70.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.054 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.477 HG22 ' O ' ' A' ' 92' ' ' LEU . 2.2 tp -68.73 -34.83 66.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.012 0.434 . . . . 0.0 110.519 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -62.55 -32.0 72.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.489 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -72.42 -9.88 59.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.295 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 t70 70.02 66.32 0.45 Allowed Pre-proline 0 C--O 1.232 0.156 0 CA-C-O 120.792 0.33 . . . . 0.0 110.836 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -89.26 -167.73 0.29 Allowed 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 123.004 2.469 . . . . 0.0 112.527 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.9 tt -129.46 144.19 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.784 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 133.48 106.65 0.97 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.462 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -67.07 -30.99 71.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.856 0.36 . . . . 0.0 111.059 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -59.73 -30.92 69.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -71.07 -36.65 72.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.68 -36.46 67.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.814 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.6 m -71.56 -33.89 69.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.688 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -68.5 -34.43 75.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.7 mt -68.75 -39.82 80.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -30.77 67.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.907 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -82.78 -28.73 30.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.052 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.36 37.81 1.32 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.99 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.1 p -92.59 131.38 39.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.166 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.2 m -71.42 63.73 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.81 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.052 -179.88 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 24.8 m-20 . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.873 0.368 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.491 ' N ' HD11 ' A' ' 86' ' ' ILE . 70.0 m -159.23 143.19 15.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.828 HG23 HD13 ' A' ' 86' ' ' ILE . 79.7 t -130.1 157.88 42.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . 0.467 ' N ' HG12 ' A' ' 121' ' ' VAL . 1.3 m -111.89 128.9 56.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.991 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 5.5 m -126.31 118.98 26.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.757 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.436 -1.202 . . . . 0.0 112.496 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.764 0.316 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.34 130.4 34.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.711 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 22.3 t -124.95 158.09 34.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.082 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -105.89 125.62 51.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.866 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.54 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 31.0 p -62.42 168.38 4.19 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.688 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.54 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 72.6 Cg_exo -51.81 -24.99 19.79 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.367 2.045 . . . . 0.0 112.082 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.48 9.97 41.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 21.2 m-20 69.71 38.14 1.74 Allowed 'General case' 0 C--N 1.334 -0.103 0 CA-C-O 120.819 0.342 . . . . 0.0 111.013 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.417 ' O ' HG23 ' A' ' 75' ' ' THR . 0.2 OUTLIER -99.16 133.39 22.14 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.508 179.631 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -51.76 125.82 18.07 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.342 2.028 . . . . 0.0 112.448 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -147.32 -162.19 9.85 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.884 -0.675 . . . . 0.0 112.327 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -134.0 152.0 51.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.885 0.374 . . . . 0.0 110.996 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 50.6 t -109.85 125.92 53.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.825 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 18.2 m -140.11 157.05 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.073 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -51.75 178.57 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.302 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.435 ' HA ' HD22 ' A' ' 92' ' ' LEU . 1.4 pp -85.5 3.51 3.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.495 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.3 ptmt -126.15 22.44 7.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.068 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.26 -37.7 2.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.772 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . 0.44 ' HB3' HD12 ' A' ' 92' ' ' LEU . 2.6 t -73.34 126.14 29.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.793 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.9 t -60.44 -33.88 73.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.048 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -61.36 -38.85 88.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.897 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.744 ' HG ' HD21 ' A' ' 108' ' ' LEU . 0.2 OUTLIER -68.28 -40.32 81.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.778 179.898 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.07 -32.46 74.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.59 -38.09 77.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.894 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.531 HD12 ' HA ' ' A' ' 92' ' ' LEU . 11.3 mt -70.51 -37.19 69.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.021 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -70.14 -30.93 68.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.956 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -75.16 -32.16 61.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.011 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -123.52 104.92 33.67 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.941 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.18 62.23 2.59 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.475 2.117 . . . . 0.0 112.286 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.8 pp -148.12 173.86 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.075 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 79.69 81.05 0.77 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.419 ' O ' HG22 ' A' ' 105' ' ' THR . 2.3 mt-10 -62.82 -31.67 72.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.834 0.349 . . . . 0.0 110.949 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -72.11 -27.93 62.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.044 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -73.5 -40.43 64.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.032 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.419 HG22 ' O ' ' A' ' 102' ' ' GLU . 12.8 t -72.12 -29.98 64.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 34.9 m -76.02 -35.68 59.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.77 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.402 ' CE1' ' HG2' ' A' ' 76' ' ' PRO . 1.7 t80 -69.94 -33.86 72.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.611 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.744 HD21 ' HG ' ' A' ' 92' ' ' LEU . 10.8 tp -66.17 -38.85 89.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.413 ' HA ' ' CG1' ' A' ' 112' ' ' VAL . 0.0 OUTLIER -71.02 -31.03 67.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 179.835 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -75.37 -29.19 59.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.748 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.1 t -103.3 41.85 1.22 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.68 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.413 ' CG1' ' HA ' ' A' ' 109' ' ' LYS . 28.1 m -89.86 146.0 6.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.72 62.54 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.895 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.091 179.961 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 9.0 m120 . . . . . 0 N--CA 1.462 0.135 0 CA-C-O 120.678 0.275 . . . . 0.0 111.378 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 69.7 m -135.68 160.92 37.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.858 0.361 . . . . 0.0 111.186 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.49 HG12 ' N ' ' A' ' 122' ' ' CYS . 13.4 t -131.66 161.58 40.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.937 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . 0.49 ' N ' HG12 ' A' ' 121' ' ' VAL . 78.4 m -111.7 123.87 51.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.794 0.33 . . . . 0.0 111.13 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 75.7 m -122.35 118.85 29.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.763 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.389 -1.228 . . . . 0.0 112.516 -179.986 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.6 tp . . . . . 0 C--O 1.227 -0.105 0 CA-C-O 120.779 0.323 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.93 123.23 32.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.733 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 19.8 p -125.0 152.95 43.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.087 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.87 122.83 36.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.835 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.528 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 2.2 p -67.62 164.93 34.47 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.736 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.528 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 9.6 Cg_endo -51.06 -25.68 17.16 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.528 2.152 . . . . 0.0 111.918 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.94 9.21 41.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.109 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.3 m120 64.7 43.38 4.23 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.919 0.39 . . . . 0.0 111.215 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -106.34 118.75 53.94 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.273 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_exo -49.59 121.69 7.6 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.292 1.995 . . . . 0.0 112.347 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -147.64 -156.28 6.94 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.445 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -133.99 150.62 51.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.829 0.347 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 39.5 t -109.89 125.99 53.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.616 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 5.7 m -141.58 157.16 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.959 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -54.32 176.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.189 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.499 HG22 ' CG2' ' A' ' 121' ' ' VAL . 1.0 OUTLIER -80.48 -1.67 4.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.541 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.6 mttm -109.69 22.1 16.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.887 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.6 tttm -136.57 -39.13 0.65 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.781 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -57.21 116.83 3.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.59 -31.75 72.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.933 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 41.4 m-70 -59.8 -35.83 75.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.79 -40.33 83.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.798 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.09 -33.53 76.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.093 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -66.78 -40.81 88.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.766 HG23 ' HG2' ' A' ' 104' ' ' GLU . 27.0 mt -67.61 -34.91 71.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.994 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -67.79 -32.9 73.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.82 -32.52 21.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.96 160.13 61.34 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.8 -172.09 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.644 2.229 . . . . 0.0 112.273 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.6 pt -87.37 -179.48 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 158.43 130.57 1.19 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.507 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -30.76 69.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.82 0.343 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.466 ' O ' HG22 ' A' ' 106' ' ' THR . 1.4 m-20 -63.68 -28.62 70.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.766 ' HG2' HG23 ' A' ' 95' ' ' ILE . 1.3 mp0 -75.16 -34.6 61.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.765 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 57.7 m -74.1 -35.75 64.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.466 HG22 ' O ' ' A' ' 103' ' ' ASP . 4.8 t -72.35 -33.9 67.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.709 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -69.42 -34.12 73.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 38.0 tp -71.9 -38.1 70.0 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.415 ' HA ' ' CG1' ' A' ' 112' ' ' VAL . 9.7 mttt -71.06 -29.28 65.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.005 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -76.07 -29.86 58.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.9 m -105.29 42.2 1.26 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.937 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.415 ' CG1' ' HA ' ' A' ' 109' ' ' LYS . 28.1 m -87.67 131.56 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.201 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.412 ' HB3' ' CB ' ' A' ' 120' ' ' SER . 0.1 OUTLIER -96.98 36.87 1.36 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.875 179.904 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.205 179.924 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . 0.445 ' C ' HG23 ' A' ' 86' ' ' ILE . 1.6 t-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.917 0.389 . . . . 0.0 110.816 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.412 ' CB ' ' HB3' ' A' ' 113' ' ' CYS . 1.1 m -123.09 134.23 54.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.819 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.499 ' CG2' HG22 ' A' ' 86' ' ' ILE . 11.8 t -140.48 161.89 24.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.065 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . 0.477 ' N ' HG12 ' A' ' 121' ' ' VAL . 1.5 m -111.76 124.22 51.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.856 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 18.3 m -129.3 118.98 23.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.817 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.398 -1.223 . . . . 0.0 112.45 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.69 0.281 . . . . 0.0 110.786 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.45 126.4 40.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.861 0.362 . . . . 0.0 110.797 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 17.6 p -134.3 166.02 23.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.081 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.5 mp -98.57 123.54 42.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.806 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.571 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 26.9 p -65.99 167.68 11.17 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.614 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.571 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 76.4 Cg_exo -50.92 -25.61 16.28 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.319 2.013 . . . . 0.0 112.096 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.93 7.82 43.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.104 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 65.22 39.34 5.47 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.9 0.381 . . . . 0.0 111.178 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -107.18 134.78 19.77 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.301 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -50.89 125.46 16.07 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.327 2.018 . . . . 0.0 112.485 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -153.49 -159.45 9.13 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.543 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.9 pttm -133.72 152.32 51.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.69 0.281 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 35.2 t -109.77 128.23 55.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.653 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.4 m -134.25 157.22 41.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.932 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -53.77 -175.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.082 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.708 HD11 HD12 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -96.04 23.84 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 -179.857 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.433 ' HD2' HG23 ' A' ' 86' ' ' ILE . 2.9 mptt -150.49 29.38 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.816 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -131.29 -44.16 1.03 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.8 t -66.7 135.53 54.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.981 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 49.9 p -68.27 -29.93 68.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 44.1 m170 -56.65 -41.57 77.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.726 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.708 HD12 HD11 ' A' ' 86' ' ' ILE . 3.8 mm? -60.67 -40.75 93.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.799 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.03 -34.44 78.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.938 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.76 -43.71 79.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 34.2 mm -66.33 -34.94 73.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.868 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.23 -31.2 71.87 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.844 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.95 -31.27 45.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -139.97 60.79 16.1 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.39 93.73 0.67 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.519 2.146 . . . . 0.0 112.355 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.489 ' C ' HD12 ' A' ' 100' ' ' ILE . 2.6 pp -147.2 171.56 3.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 76.69 112.06 0.14 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.548 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -60.4 -32.27 71.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.793 0.33 . . . . 0.0 110.802 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -63.04 -32.57 73.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.16 -33.57 70.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.17 -36.15 71.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.0 m -69.17 -33.96 74.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -69.97 -34.03 72.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.8 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.11 -35.89 76.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.441 ' O ' HG12 ' A' ' 112' ' ' VAL . 5.0 mttm -71.0 -30.49 66.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -82.35 -29.36 31.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.3 t -97.3 38.54 1.25 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.441 HG12 ' O ' ' A' ' 109' ' ' LYS . 14.4 p -100.97 142.0 16.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.05 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.8 m -95.07 38.71 1.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.05 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.086 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.774 0.321 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.17 143.82 27.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.536 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.496 HG12 ' N ' ' A' ' 122' ' ' CYS . 15.5 t -146.2 161.9 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.119 -179.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . 0.496 ' N ' HG12 ' A' ' 121' ' ' VAL . 1.2 m -111.64 123.88 51.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.637 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 32.7 m -116.83 119.22 34.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.906 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.394 -1.225 . . . . 0.0 112.497 -179.938 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.417 ' O ' ' HA ' ' A' ' 82' ' ' LYS . 9.3 mp . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.627 0.251 . . . . 0.0 110.58 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.53 121.72 40.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.948 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.407 ' HB3' ' HB2' ' A' ' 83' ' ' CYS . 25.8 p -124.92 157.95 34.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.909 0.385 . . . . 0.0 111.545 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.0 mp -109.02 122.8 48.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.745 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.539 HG21 ' HE2' ' A' ' 79' ' ' LYS . 3.5 p -74.11 172.83 7.58 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.655 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.481 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 53.4 Cg_exo -52.82 -30.76 48.66 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.297 1.998 . . . . 0.0 111.728 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.87 -7.65 58.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.86 179.368 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.2 m120 70.78 38.88 1.15 Allowed 'General case' 0 C--O 1.231 0.108 0 CA-C-O 121.049 0.452 . . . . 0.0 110.946 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.539 ' HE2' HG21 ' A' ' 75' ' ' THR . 7.0 pttt -104.7 108.5 61.03 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.841 179.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -43.52 124.57 4.29 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.51 2.14 . . . . 0.0 112.853 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -142.72 -146.19 4.57 Favored Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.921 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 1.7 mttp -134.16 148.92 51.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.767 0.318 . . . . 0.0 111.132 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.407 ' HB2' ' HB3' ' A' ' 73' ' ' CYS . 14.7 t -109.72 130.09 55.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.018 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.411 ' HB ' ' HB3' ' A' ' 88' ' ' LYS . 21.3 m -141.42 157.07 21.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.93 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 -54.99 -175.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.053 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.661 HG23 ' O ' ' A' ' 119' ' ' ASN . 1.4 pp -90.93 10.76 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.34 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -135.6 27.2 3.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.411 ' HB3' ' HB ' ' A' ' 84' ' ' VAL . 3.0 tttm -125.88 -43.79 1.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -68.69 115.49 8.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.6 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 43.6 p -56.88 -30.6 64.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.205 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -61.15 -35.44 77.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.832 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.618 HD13 ' O ' ' A' ' 86' ' ' ILE . 1.5 tt -70.49 -42.33 71.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.677 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.18 -30.81 71.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.075 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -70.28 -40.53 74.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.978 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.447 HG23 ' HG2' ' A' ' 104' ' ' GLU . 11.8 mt -68.11 -34.87 69.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -68.45 -34.49 76.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.022 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -85.96 -34.94 20.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.065 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -88.56 163.02 37.48 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.854 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -50.51 125.78 16.27 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.557 2.172 . . . . 0.0 112.371 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.3 tt -108.94 157.08 9.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.017 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -146.51 -176.45 20.33 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.451 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -66.02 -32.96 74.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.761 0.315 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -70.64 -32.03 69.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.447 ' HG2' HG23 ' A' ' 95' ' ' ILE . 1.1 tp10 -71.25 -33.55 69.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.0 m -70.46 -36.02 73.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.9 m -72.11 -33.87 68.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.773 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -69.71 -33.99 73.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.744 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.436 HD21 ' HG ' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -68.5 -42.5 78.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.828 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.478 ' O ' HG13 ' A' ' 112' ' ' VAL . 11.5 mtpp -70.98 -31.13 67.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.752 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.55 -31.7 63.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.7 m -97.6 38.3 1.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.798 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.553 HG23 ' H ' ' A' ' 114' ' ' ALA . 35.7 m -89.08 175.59 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.211 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -95.35 28.02 3.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.177 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.553 ' H ' HG23 ' A' ' 112' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.459 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . 0.661 ' O ' HG23 ' A' ' 86' ' ' ILE . 4.3 m-20 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.87 0.367 . . . . 0.0 110.81 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.1 m -109.81 172.18 7.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.783 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.572 HG23 HG22 ' A' ' 86' ' ' ILE . 17.7 t -142.86 159.89 18.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.173 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . 0.487 ' N ' HG12 ' A' ' 121' ' ' VAL . 42.7 t -111.65 123.77 50.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.637 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 84.5 m -118.35 120.15 36.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.354 -1.248 . . . . 0.0 112.492 -179.965 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 17.8 tp . . . . . 0 C--O 1.229 0.014 0 CA-C-O 120.743 0.306 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.24 130.55 34.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.68 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.414 ' HB2' ' HB2' ' A' ' 83' ' ' CYS . 36.8 t -124.73 156.32 37.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.304 -179.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -116.22 122.86 46.25 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.873 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.614 HG23 ' C ' ' A' ' 124' ' ' GLY . 61.9 p -72.38 169.59 16.23 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.377 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.574 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 75.3 Cg_exo -50.93 -27.36 20.7 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.217 1.945 . . . . 0.0 112.033 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.56 6.25 44.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.073 179.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.2 m120 70.66 31.39 2.82 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.344 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 80' ' ' PRO . 26.5 tptp -82.69 128.26 67.01 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.902 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 79' ' ' LYS . 5.9 Cg_exo -78.92 107.97 2.33 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.37 2.046 . . . . 0.0 113.112 -179.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.486 ' HA3' ' HA3' ' A' ' 124' ' ' GLY . . . -130.03 -144.94 5.69 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.668 -0.697 . . . . 0.0 112.257 179.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.57 152.46 51.8 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.767 0.318 . . . . 0.0 110.917 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.414 ' HB2' ' HB2' ' A' ' 73' ' ' CYS . 17.2 t -109.56 125.66 52.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.387 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 25.3 m -137.56 157.32 33.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.977 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -56.23 -166.31 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.997 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.57 HG22 ' CG2' ' A' ' 121' ' ' VAL . 1.7 pt -97.17 36.11 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.364 0.602 . . . . 0.0 111.158 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.2 pttt -155.16 47.94 0.54 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.02 -46.25 0.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.184 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 2.6 t -65.37 132.96 50.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.051 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.6 m -71.02 -30.0 66.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.955 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -56.31 -34.58 66.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.491 HD11 HG11 ' A' ' 121' ' ' VAL . 8.1 mp -67.8 -40.33 83.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.754 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.95 -32.5 74.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.898 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -66.24 -42.93 87.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.489 HG21 HD11 ' A' ' 108' ' ' LEU . 31.9 mm -68.41 -37.42 77.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.958 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -70.04 -30.94 68.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.937 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -70.61 -30.88 67.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.967 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -145.78 105.35 4.24 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.941 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -68.43 -166.06 0.14 Allowed 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.449 2.099 . . . . 0.0 112.242 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.448 HG22 ' N ' ' A' ' 101' ' ' GLY . 19.2 mm 70.5 157.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.168 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.448 ' N ' HG22 ' A' ' 100' ' ' ILE . . . 108.2 96.89 2.47 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.457 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.0 -33.08 70.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.814 0.34 . . . . 0.0 110.972 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -71.99 -31.07 65.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -72.28 -40.81 67.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.22 -35.21 71.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.705 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 25.0 m -71.34 -34.05 70.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.663 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -66.82 -35.08 79.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.831 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.489 HD11 HG21 ' A' ' 95' ' ' ILE . 8.6 mt -72.11 -39.5 68.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.824 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.8 tmtp? -71.06 -33.41 70.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.943 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -81.56 -28.52 33.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 73.9 m -97.13 37.91 1.29 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.601 HG22 ' H ' ' A' ' 114' ' ' ALA . 11.3 p -90.18 135.73 25.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.006 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.05 29.36 2.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.066 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.601 ' H ' HG22 ' A' ' 112' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.224 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . 0.564 ' O ' HG23 ' A' ' 86' ' ' ILE . 5.5 m-20 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.803 0.335 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.6 m -100.88 138.95 37.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.789 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.57 ' CG2' HG22 ' A' ' 86' ' ' ILE . 28.3 t -128.8 159.23 40.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.095 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . 0.496 ' N ' HG12 ' A' ' 121' ' ' VAL . 42.4 t -111.84 133.11 54.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.616 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 55.8 m -134.08 118.85 18.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.75 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . 0.614 ' C ' HG23 ' A' ' 75' ' ' THR . . . . . . . . 0 C--O 1.246 0.901 0 CA-C-O 118.175 -1.347 . . . . 0.0 112.6 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.228 -0.035 0 CA-C-O 120.807 0.337 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.23 123.24 36.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.497 179.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 41.8 t -124.79 148.9 47.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.3 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.9 mp -99.38 122.84 43.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.805 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.559 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 34.0 p -61.9 168.31 3.76 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.504 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.559 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 76.1 Cg_exo -50.88 -24.58 13.94 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.272 1.981 . . . . 0.0 112.275 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.39 6.21 49.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.313 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 70.1 35.56 2.13 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.802 0.334 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.68 118.81 65.86 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.415 179.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_exo -50.44 123.6 11.57 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.346 2.031 . . . . 0.0 112.576 -179.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -147.7 -152.4 5.66 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.164 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.6 mttp -133.99 152.08 51.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.77 0.319 . . . . 0.0 110.956 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 52.7 t -109.95 125.95 53.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.836 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 31.6 m -137.65 157.09 33.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.754 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -51.61 177.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.195 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.58 HG22 HG23 ' A' ' 121' ' ' VAL . 1.1 pp -85.5 5.08 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.624 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.8 24.21 5.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.24 -40.76 2.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.934 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 7.8 t -67.36 128.35 36.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.832 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.02 -33.78 75.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.068 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -59.32 -48.88 79.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.948 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.446 HD22 ' HA ' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -59.56 -39.88 85.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.739 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.417 ' HA ' ' HG2' ' A' ' 96' ' ' GLU . . . -65.08 -32.33 73.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.154 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -69.66 -37.65 76.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.823 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 28.6 mm -66.9 -42.0 88.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.074 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.417 ' HG2' ' HA ' ' A' ' 93' ' ' ALA . 12.1 pt-20 -70.11 -35.46 74.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.46 -31.8 71.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.945 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.04 70.71 12.13 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.2 87.41 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.623 2.216 . . . . 0.0 112.231 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.4 mt -137.82 139.27 43.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.169 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.54 99.53 0.79 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.525 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -66.28 -31.14 71.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.766 0.317 . . . . 0.0 110.873 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -69.58 -34.63 74.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.962 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -73.58 -34.56 65.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.748 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 23.3 m -72.75 -31.42 64.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.728 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 26.0 m -70.53 -35.94 73.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.816 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.34 -40.58 89.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.69 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.82 -42.23 95.14 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.687 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -69.1 -31.21 69.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.476 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -67.49 -29.08 68.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.661 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.6 m -94.97 36.93 1.17 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.82 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 120' ' ' SER . 11.9 p -81.81 139.12 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.18 62.95 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.831 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.209 -179.966 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 21.4 m-20 . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.825 0.345 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.461 ' O ' HG23 ' A' ' 112' ' ' VAL . 2.5 p -126.19 161.05 28.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.991 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.58 HG23 HG22 ' A' ' 86' ' ' ILE . 18.4 t -144.27 160.14 15.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.967 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . 0.482 ' N ' HG12 ' A' ' 121' ' ' VAL . 84.2 m -111.85 124.02 51.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.948 0.404 . . . . 0.0 110.728 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 74.8 m -127.29 124.9 39.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.843 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.521 -179.986 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.2 tt . . . . . 0 N--CA 1.456 -0.135 0 CA-C-O 120.735 0.302 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.94 124.67 47.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 26.8 p -129.02 163.61 25.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.143 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.451 HD22 ' OD1' ' A' ' 78' ' ' ASN . 0.6 OUTLIER -97.4 122.84 40.9 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.945 179.887 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.48 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 0.7 OUTLIER -69.88 168.01 20.51 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.563 179.863 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.48 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 8.7 Cg_endo -50.58 -25.36 14.49 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.484 2.123 . . . . 0.0 112.055 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.63 4.77 53.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.318 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.451 ' OD1' HD22 ' A' ' 74' ' ' LEU . 1.2 m-80 67.57 37.28 3.42 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.929 0.395 . . . . 0.0 111.145 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 43.8 mttt -106.97 136.89 19.4 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.433 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.48 117.73 4.13 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.33 2.02 . . . . 0.0 112.334 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -136.01 -154.77 6.98 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.266 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.7 mtmp? -134.13 147.78 50.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.954 0.406 . . . . 0.0 111.109 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 12.5 t -109.8 126.73 54.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.762 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 28.9 m -142.13 157.18 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -51.1 177.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.262 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.445 HD12 ' HD2' ' A' ' 87' ' ' LYS . 1.1 pp -80.24 -1.73 4.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.626 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.445 ' HD2' HD12 ' A' ' 86' ' ' ILE . 1.2 mptp? -112.61 23.4 13.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.34 -39.5 0.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.977 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.33 128.83 35.97 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.869 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.1 p -71.2 -42.1 69.41 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.077 -0.511 . . . . 0.0 112.164 -179.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.67 ' CE1' HG11 ' A' ' 121' ' ' VAL . 4.1 p-80 -55.96 -33.79 65.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.867 0.365 . . . . 0.0 111.098 -179.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.572 ' O ' HG22 ' A' ' 95' ' ' ILE . 0.2 OUTLIER -67.59 -42.14 82.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.791 179.85 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.2 -29.97 70.83 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.126 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.1 -43.4 67.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.708 ' O ' HD13 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -67.36 -34.55 69.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.754 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.35 -31.93 73.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.711 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -86.02 -31.89 21.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -92.67 162.51 29.11 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.23 -173.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.638 2.226 . . . . 0.0 112.365 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.2 pt -93.3 179.71 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 173.48 138.31 2.61 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.393 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.56 -32.89 71.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.788 0.328 . . . . 0.0 110.795 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.19 -31.35 72.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -68.02 -35.64 78.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.6 -35.5 65.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -73.04 -33.97 66.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.735 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -70.17 -33.94 72.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.844 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.47 -37.82 80.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.795 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.451 ' O ' HG12 ' A' ' 112' ' ' VAL . 5.2 mttm -71.03 -30.59 66.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.806 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -83.43 -28.44 28.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.1 m -97.1 37.49 1.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.451 HG12 ' O ' ' A' ' 109' ' ' LYS . 13.4 p -101.04 147.66 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.966 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 76.2 m -96.99 36.71 1.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.987 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.248 179.901 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.233 0.196 0 CA-C-O 120.881 0.372 . . . . 0.0 110.761 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 60.7 p -144.74 146.6 32.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.67 HG11 ' CE1' ' A' ' 91' ' ' HIS . 10.5 t -128.01 162.5 33.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . 0.489 ' N ' HG12 ' A' ' 121' ' ' VAL . 34.9 t -111.69 123.66 50.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.93 0.395 . . . . 0.0 110.744 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 2.0 m -122.56 119.37 30.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.151 0 CA-C-O 118.342 -1.255 . . . . 0.0 112.564 -179.909 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.228 -0.031 0 CA-C-O 120.77 0.319 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.91 124.04 28.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.824 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 17.6 p -124.9 160.08 29.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.976 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -94.03 125.04 38.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.666 HG23 ' O ' ' A' ' 79' ' ' LYS . 18.0 p -61.3 168.77 2.72 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.744 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.498 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 58.5 Cg_exo -52.46 -25.97 26.79 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.393 2.062 . . . . 0.0 112.09 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.88 8.11 45.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.095 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.0 m120 70.95 41.28 0.84 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.838 0.351 . . . . 0.0 110.962 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.666 ' O ' HG23 ' A' ' 75' ' ' THR . 6.2 tttm -106.98 138.75 19.9 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.595 179.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.17 125.38 18.19 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.328 2.019 . . . . 0.0 112.279 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -153.37 -163.15 11.54 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.35 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.7 mttp -133.79 152.54 51.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.668 0.271 . . . . 0.0 110.72 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 50.1 t -109.36 125.84 52.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.53 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.443 ' HB ' ' HD3' ' A' ' 88' ' ' LYS . 2.7 m -138.45 157.33 30.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.27 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.86 -176.9 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.089 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.919 HG22 HG23 ' A' ' 121' ' ' VAL . 1.2 pp -98.7 7.55 8.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.589 -179.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.51 31.97 4.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.594 -179.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.443 ' HD3' ' HB ' ' A' ' 84' ' ' VAL . 0.8 OUTLIER -145.02 -35.1 0.33 Allowed 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.813 179.667 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . 0.443 ' N ' ' HG3' ' A' ' 88' ' ' LYS . 7.6 t -72.02 134.29 45.79 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.841 0.353 . . . . 0.0 110.746 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.41 -33.56 69.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.144 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -59.12 -36.16 74.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.004 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.651 ' HA ' HD12 ' A' ' 95' ' ' ILE . 0.2 OUTLIER -69.15 -39.01 79.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.784 179.883 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.97 -33.13 75.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.112 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -69.47 -39.02 77.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.651 HD12 ' HA ' ' A' ' 92' ' ' LEU . 11.4 mt -66.91 -34.93 73.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.048 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -69.33 -32.16 71.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -70.41 -30.92 67.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -103.79 93.97 5.8 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.37 156.71 63.56 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.428 2.085 . . . . 0.0 112.267 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.424 HG22 ' N ' ' A' ' 101' ' ' GLY . 18.5 mt 61.95 154.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.051 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.424 ' N ' HG22 ' A' ' 100' ' ' ILE . . . 121.68 99.31 1.58 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.541 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.1 -23.99 65.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.777 0.322 . . . . 0.0 111.121 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -60.21 -45.86 91.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.261 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -64.95 -31.88 73.33 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.961 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.489 ' HA ' HD23 ' A' ' 108' ' ' LEU . 5.6 m -71.72 -29.81 64.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 19.8 m -75.61 -33.79 60.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.55 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -70.08 -39.93 75.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.299 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.499 ' C ' HD12 ' A' ' 108' ' ' LEU . 1.7 pp -70.52 -34.79 72.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.758 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.468 ' O ' HG12 ' A' ' 112' ' ' VAL . 0.0 OUTLIER -68.41 -30.29 69.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.855 179.864 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -77.22 -33.47 56.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.928 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 34.2 t -106.95 43.04 1.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.977 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.468 HG12 ' O ' ' A' ' 109' ' ' LYS . 12.4 p -98.79 130.91 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -75.26 63.2 1.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.039 0.447 . . . . 0.0 110.749 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.135 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 8.7 m120 . . . . . 0 C--O 1.23 0.03 0 CA-C-O 120.89 0.376 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 18.2 p -151.67 146.2 25.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.955 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.919 HG23 HG22 ' A' ' 86' ' ' ILE . 35.2 t -130.34 160.72 41.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.709 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . 0.515 ' N ' HG12 ' A' ' 121' ' ' VAL . 1.3 m -111.7 123.81 51.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.994 0.426 . . . . 0.0 110.932 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 55.4 m -119.01 118.93 32.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.597 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.409 -1.217 . . . . 0.0 112.535 -179.851 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.622 HD23 ' N ' ' A' ' 72' ' ' SER . 1.1 tt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.843 0.354 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.622 ' N ' HD23 ' A' ' 71' ' ' LEU . 0.3 OUTLIER -84.41 130.81 34.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.645 179.858 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.434 ' HB2' ' HB2' ' A' ' 83' ' ' CYS . 10.7 t -126.18 151.1 47.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.027 -179.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.3 mp -100.96 123.71 45.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.775 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.604 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 70.0 p -60.77 162.53 11.76 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.467 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.604 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 7.3 Cg_endo -49.45 -25.04 9.8 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.447 2.098 . . . . 0.0 112.174 179.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.71 9.34 43.55 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.391 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 22.9 m-20 70.37 46.8 0.56 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.881 0.372 . . . . 0.0 111.3 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.2 127.99 26.25 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.224 179.44 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -47.94 127.06 14.03 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.43 2.087 . . . . 0.0 112.573 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -151.92 -162.44 10.82 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.433 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.14 152.08 51.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.877 0.37 . . . . 0.0 110.858 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.434 ' HB2' ' HB2' ' A' ' 73' ' ' CYS . 52.4 t -113.36 125.86 54.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 20.0 m -142.14 157.03 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -57.8 -174.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.789 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.558 ' HA ' HD23 ' A' ' 92' ' ' LEU . 0.7 OUTLIER -91.36 49.75 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.974 179.853 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.0 mttm -166.18 32.1 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.778 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.52 -47.22 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.886 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 4.1 t -60.11 124.11 19.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.982 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 47.8 p -58.5 -33.19 69.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.007 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -66.58 -43.85 83.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.558 HD23 ' HA ' ' A' ' 86' ' ' ILE . 6.8 mp -61.38 -38.89 88.66 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.863 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.99 -33.39 75.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.049 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -67.92 -42.89 80.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 39.2 mm -66.47 -34.95 73.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.969 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.2 -33.54 75.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.822 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -81.99 -32.13 30.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.79 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.71 170.39 8.14 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.803 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -50.18 157.59 2.9 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.641 2.227 . . . . 0.0 112.32 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.422 HG22 ' N ' ' A' ' 101' ' ' GLY . 28.6 mm -112.88 155.4 14.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.422 ' N ' HG22 ' A' ' 100' ' ' ILE . . . -155.37 161.23 30.37 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.57 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -59.88 -30.91 69.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.876 0.369 . . . . 0.0 110.953 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.16 -33.66 76.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -73.04 -33.79 65.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.6 m -70.81 -31.84 68.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.776 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.6 m -72.45 -34.54 67.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.37 -34.68 76.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.496 ' O ' HD23 ' A' ' 108' ' ' LEU . 4.6 tt -71.07 -34.98 71.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.52 -32.2 71.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.887 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -77.77 -28.4 50.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.4 p -102.86 41.49 1.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.666 HG22 ' H ' ' A' ' 114' ' ' ALA . 12.2 p -95.93 136.15 27.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 8.9 m -94.0 24.77 4.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.2 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.666 ' H ' HG22 ' A' ' 112' ' ' VAL . . . . . . . . 0 C--N 1.331 -0.205 0 CA-C-O 120.817 0.342 . . . . 0.0 111.08 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 . . . . . 0 N--CA 1.462 0.147 0 CA-C-O 120.834 0.349 . . . . 0.0 111.582 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.96 162.66 13.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.672 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.551 HG21 HD21 ' A' ' 92' ' ' LEU . 20.0 t -144.13 157.35 15.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.328 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . 0.46 ' N ' HG12 ' A' ' 121' ' ' VAL . 44.4 t -111.86 129.72 56.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.725 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 26.9 m -130.78 119.08 21.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.321 -1.266 . . . . 0.0 112.53 179.926 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.761 0.315 . . . . 0.0 110.623 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.37 125.42 32.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.954 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 30.0 p -124.95 148.07 48.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.822 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.6 mp -93.82 123.05 36.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.493 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 7.2 p -67.38 167.2 16.22 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.828 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.493 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 67.5 Cg_exo -51.54 -25.43 19.43 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.389 2.059 . . . . 0.0 112.077 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.42 9.96 39.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.181 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 66.38 39.41 4.0 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.908 0.385 . . . . 0.0 110.933 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.6 ttmt -99.74 132.05 23.65 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.334 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -58.9 121.27 9.67 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.368 2.046 . . . . 0.0 112.349 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -147.4 -162.32 9.94 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.465 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.93 146.55 52.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.785 0.326 . . . . 0.0 110.816 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 18.7 t -109.79 125.99 53.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.733 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 6.1 m -139.31 155.33 25.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.979 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -55.53 170.15 0.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.767 HG23 ' O ' ' A' ' 86' ' ' ILE . 0.1 OUTLIER -82.72 57.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.518 0.675 . . . . 0.0 110.666 179.841 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.35 35.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.829 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.7 tttp -147.65 -46.64 0.17 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.864 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . 0.515 ' HB3' HD23 ' A' ' 92' ' ' LEU . 0.6 OUTLIER -72.27 123.22 22.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.964 179.914 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 18.5 p -59.3 -29.99 68.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.957 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 15.1 t-160 -58.06 -38.87 77.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.013 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.609 HD21 HG11 ' A' ' 121' ' ' VAL . 4.5 mm? -68.05 -39.02 83.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.779 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.09 -33.47 76.1 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.024 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -70.9 -38.28 73.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.83 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.497 HD12 ' HA ' ' A' ' 92' ' ' LEU . 12.8 mt -70.67 -34.86 58.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.011 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -70.12 -32.49 70.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -30.96 71.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.773 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -112.3 97.4 39.36 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.828 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -84.16 31.17 0.51 Allowed 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 123.03 2.487 . . . . 0.0 112.715 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.9 mt -128.28 135.05 63.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.769 0.319 . . . . 0.0 110.989 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 109.81 113.54 3.55 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.616 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -55.16 -23.78 23.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.747 0.308 . . . . 0.0 111.183 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -55.67 -27.98 52.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.152 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -65.93 -44.02 86.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.877 0.37 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 77.1 m -72.01 -31.57 66.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.648 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -73.98 -33.9 64.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.824 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.37 -36.96 71.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.0 tp -72.06 -40.63 68.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.786 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -71.18 -29.58 65.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.098 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -87.41 -29.03 21.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.111 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.3 p -110.59 44.12 1.31 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.136 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.704 HG22 ' H ' ' A' ' 114' ' ' ALA . 12.4 p -97.89 134.79 34.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.128 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.3 m -98.34 26.32 5.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.079 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.704 ' H ' HG22 ' A' ' 112' ' ' VAL . . . . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.913 0.387 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 75.5 m -126.9 157.13 40.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.609 HG11 HD21 ' A' ' 92' ' ' LEU . 15.9 t -141.78 154.97 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.968 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 39.9 t -111.83 123.89 51.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.631 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 14.8 m -109.94 131.66 54.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.819 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.09 0 CA-C-O 118.397 -1.224 . . . . 0.0 112.531 179.893 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.492 HD23 ' N ' ' A' ' 72' ' ' SER . 0.6 OUTLIER . . . . . 0 N--CA 1.458 -0.043 0 CA-C-O 120.785 0.326 . . . . 0.0 110.934 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.492 ' N ' HD23 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -91.4 125.02 36.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.714 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.404 ' HB2' ' HB2' ' A' ' 83' ' ' CYS . 41.2 t -126.06 149.98 48.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.231 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.6 123.33 40.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.614 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.543 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 1.5 p -65.32 166.26 14.4 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.708 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.543 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 9.6 Cg_endo -50.8 -25.35 15.25 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.426 2.084 . . . . 0.0 111.889 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.45 10.07 39.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.214 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 66.18 39.67 4.15 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.953 0.406 . . . . 0.0 111.207 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.22 136.16 19.49 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.246 179.545 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -58.19 120.94 9.15 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.46 2.107 . . . . 0.0 112.484 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -142.99 -159.4 7.93 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.199 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.88 152.1 51.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.861 0.362 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.404 ' HB2' ' HB2' ' A' ' 73' ' ' CYS . 50.1 t -109.8 126.06 53.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.775 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 28.7 m -139.92 157.02 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.071 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -54.84 -178.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.16 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.2 pp -86.89 5.64 3.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.563 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.3 pttt -124.78 23.5 7.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.991 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.95 -40.35 1.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.3 t -69.77 134.17 48.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 68.1 p -65.81 -32.27 73.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.079 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.3 m170 -58.83 -33.79 70.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.003 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.54 ' HA ' HD12 ' A' ' 95' ' ' ILE . 3.9 mm? -69.07 -40.32 78.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.15 -33.99 77.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.121 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -67.04 -38.71 86.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.985 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.738 HG23 ' HB3' ' A' ' 99' ' ' PRO . 12.8 mt -68.78 -36.7 75.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.017 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.21 -31.5 68.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.92 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -82.38 -39.62 22.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.054 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -178.61 100.02 0.21 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.004 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.738 ' HB3' HG23 ' A' ' 95' ' ' ILE . 96.1 Cg_endo -80.58 109.88 2.33 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 122.281 1.987 . . . . 0.0 112.347 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.1 pt -101.62 136.72 32.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.053 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 66.58 114.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.509 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -59.53 -29.13 67.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.776 0.322 . . . . 0.0 110.942 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.8 p30 -58.75 -30.89 67.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.982 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -72.71 -36.06 67.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.1 m -69.99 -33.28 71.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.799 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.7 m -71.42 -34.09 70.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.663 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -66.41 -37.93 86.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.72 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.592 ' HG ' HD11 ' A' ' 95' ' ' ILE . 3.3 mm? -63.42 -45.87 89.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.582 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -31.48 72.36 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.729 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.5 -26.99 64.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.798 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 48.5 m -96.23 35.73 1.42 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.961 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 11.1 p -70.95 127.26 32.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.032 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.56 63.94 0.28 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.999 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.075 179.906 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 26.8 m120 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.878 0.371 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.4 m -118.85 164.34 15.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.478 HG12 ' N ' ' A' ' 122' ' ' CYS . 17.6 t -133.85 160.45 41.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.994 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . 0.478 ' N ' HG12 ' A' ' 121' ' ' VAL . 86.1 m -111.7 123.84 51.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.813 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 15.7 m -116.0 119.01 34.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.09 0 CA-C-O 118.396 -1.224 . . . . 0.0 112.508 -179.945 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.691 0.282 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.49 128.97 45.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.713 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 15.2 p -133.73 166.96 21.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.23 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.2 mp -98.05 122.96 41.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.734 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.516 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 1.1 p -66.36 166.63 16.18 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.689 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.516 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 8.5 Cg_endo -50.32 -25.7 14.2 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.563 2.176 . . . . 0.0 111.987 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.76 7.14 45.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.142 179.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 65.62 39.66 4.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.97 0.414 . . . . 0.0 111.117 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -108.71 135.71 20.05 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.328 179.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -52.85 123.33 12.8 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.277 1.985 . . . . 0.0 112.302 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -148.14 -155.74 6.77 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.205 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.2 pttm -134.07 149.12 51.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.891 0.377 . . . . 0.0 111.025 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 52.0 t -109.79 125.98 53.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.608 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 30.1 m -141.53 157.15 21.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.883 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -52.91 -178.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.704 ' HA ' HD22 ' A' ' 92' ' ' LEU . 1.8 pp -87.32 5.07 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.511 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.7 ptmt -127.83 23.02 6.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.031 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -121.96 -38.11 2.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.828 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.5 t -75.76 113.21 12.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.723 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.7 m -57.13 -39.43 75.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.078 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.8 -37.16 83.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.706 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.704 HD22 ' HA ' ' A' ' 86' ' ' ILE . 1.3 tp -65.5 -39.49 91.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.89 -34.01 77.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -66.09 -43.52 87.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.637 HG23 ' OE1' ' A' ' 104' ' ' GLU . 37.3 mm -65.73 -36.44 77.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.069 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.11 -31.06 68.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.953 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -85.96 -32.34 21.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -124.12 72.41 55.56 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.078 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -77.16 108.55 2.65 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.629 2.219 . . . . 0.0 112.398 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 9.7 pt -126.62 119.08 52.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.265 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 74.66 126.64 0.16 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.59 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.46 -24.02 42.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.79 0.329 . . . . 0.0 111.214 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -57.42 -30.54 65.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.104 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.637 ' OE1' HG23 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -73.59 -31.79 63.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.962 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.414 ' N ' ' HG3' ' A' ' 104' ' ' GLU . 2.3 m -72.25 -37.13 69.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.987 0.423 . . . . 0.0 110.865 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 24.5 m -70.25 -34.0 72.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.655 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -67.23 -34.97 78.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.829 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.4 tt -69.97 -38.54 76.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.759 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.82 -31.97 68.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.785 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -69.87 -29.18 66.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.986 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 11.5 p -96.92 37.32 1.31 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.3 p -87.27 128.56 39.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.201 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.78 64.05 0.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.105 0.479 . . . . 0.0 110.856 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.078 -179.971 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.866 0.365 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 58.8 m -143.93 147.61 34.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.534 ' CG2' HG22 ' A' ' 86' ' ' ILE . 10.0 t -131.49 162.06 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . 0.483 ' N ' HG12 ' A' ' 121' ' ' VAL . 1.3 m -111.8 123.89 51.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.884 0.374 . . . . 0.0 111.156 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 85.4 m -122.21 118.87 29.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.594 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.091 0 CA-C-O 118.372 -1.238 . . . . 0.0 112.54 -179.875 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.4 tp . . . . . 0 CA--C 1.526 0.055 0 CA-C-O 120.832 0.348 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.87 127.74 32.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.718 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.431 ' HB2' ' HB2' ' A' ' 83' ' ' CYS . 43.4 t -124.87 156.11 38.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.184 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.4 mp -105.53 126.15 51.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.928 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.541 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 35.8 p -61.98 168.55 3.57 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.523 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.541 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 71.9 Cg_exo -51.62 -24.8 18.21 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.302 2.002 . . . . 0.0 112.144 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.12 9.69 42.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 70.45 36.38 1.74 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.878 0.37 . . . . 0.0 110.957 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.84 124.14 57.49 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.638 179.682 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.11 125.48 17.46 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.412 2.075 . . . . 0.0 112.315 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -151.52 -156.82 7.6 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.528 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -131.55 152.21 50.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.816 0.341 . . . . 0.0 110.871 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.431 ' HB2' ' HB2' ' A' ' 73' ' ' CYS . 43.3 t -109.9 129.52 55.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.995 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 21.7 m -142.03 157.08 20.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.043 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -55.4 -174.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.667 HD12 HG21 ' A' ' 121' ' ' VAL . 1.5 tp -97.39 27.61 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.152 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.2 mtpp -144.64 29.38 1.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -134.57 -52.25 0.81 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.969 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 2.7 t -58.14 126.62 28.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.926 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -64.9 -31.6 72.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.937 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 -59.72 -33.42 71.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.632 HD21 HD21 ' A' ' 108' ' ' LEU . 0.1 OUTLIER -69.83 -39.65 76.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.32 -32.12 73.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.175 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.61 -42.95 70.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.186 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.496 HG22 ' O ' ' A' ' 92' ' ' LEU . 0.6 OUTLIER -69.62 -34.85 63.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.717 179.885 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -68.97 -30.94 69.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.709 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.51 -31.7 67.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.842 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -165.99 81.43 1.08 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -73.97 137.53 24.37 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.588 2.192 . . . . 0.0 112.343 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.66 ' N ' HD13 ' A' ' 100' ' ' ILE . 0.2 OUTLIER -151.1 169.51 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.065 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 64.46 112.82 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.448 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -60.27 -31.0 69.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.798 0.332 . . . . 0.0 111.003 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -72.11 -30.95 65.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.012 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -72.0 -40.75 68.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.017 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 9.8 t -71.0 -33.16 70.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 57.3 m -73.69 -34.99 65.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -69.83 -34.02 73.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.691 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.632 HD21 HD21 ' A' ' 92' ' ' LEU . 2.3 tt -66.21 -40.97 90.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.533 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -71.0 -30.12 66.26 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.606 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -72.63 -22.03 61.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.926 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.54 32.32 1.41 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.012 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.631 HG22 ' H ' ' A' ' 114' ' ' ALA . 12.9 p -77.27 144.86 10.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-O 120.989 0.423 . . . . 0.0 110.708 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.4 15.86 8.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.794 -179.583 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.631 ' H ' HG22 ' A' ' 112' ' ' VAL . . . . . . . . 0 N--CA 1.465 0.322 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.934 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 15.8 t30 . . . . . 0 N--CA 1.456 -0.144 0 CA-C-O 120.841 0.353 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.2 p -96.68 135.47 38.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.47 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.667 HG21 HD12 ' A' ' 86' ' ' ILE . 15.2 t -119.99 162.15 18.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.244 -179.499 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . 0.501 ' N ' HG12 ' A' ' 121' ' ' VAL . 95.6 m -111.51 123.91 51.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.616 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 61.7 m -122.38 118.86 29.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.999 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 CA-C-O 118.408 -1.218 . . . . 0.0 112.516 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.526 0.022 0 CA-C-O 120.764 0.316 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.85 127.4 34.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.822 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.402 ' HB2' ' HB2' ' A' ' 83' ' ' CYS . 42.9 t -124.97 155.54 39.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.032 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mp -100.81 122.94 44.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.783 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.564 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 70.4 p -65.54 168.17 8.98 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.637 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.564 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 74.4 Cg_exo -51.5 -27.91 26.48 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.319 2.012 . . . . 0.0 112.064 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.52 7.33 43.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.091 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 16.9 m120 67.32 39.78 2.9 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.842 0.353 . . . . 0.0 111.177 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.1 mmtm -104.63 132.75 20.64 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.29 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -50.46 126.39 17.67 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.392 2.061 . . . . 0.0 112.521 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -147.08 -159.28 8.23 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.285 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.02 152.05 51.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.766 0.317 . . . . 0.0 111.003 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.402 ' HB2' ' HB2' ' A' ' 73' ' ' CYS . 52.0 t -111.8 129.1 56.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.984 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 5.5 m -141.92 156.96 20.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.972 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -55.05 177.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.512 HD12 HG21 ' A' ' 121' ' ' VAL . 0.7 OUTLIER -91.68 48.26 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.111 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -170.1 34.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.471 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.2 tttm -143.65 -45.7 0.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 18.8 t -59.57 118.37 5.99 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 29.2 p -58.9 -32.88 69.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.017 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 7.2 m80 -63.95 -37.21 86.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.424 HD11 HD11 ' A' ' 108' ' ' LEU . 0.1 OUTLIER -68.24 -37.94 81.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.756 179.869 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.2 -33.47 75.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.111 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -70.6 -40.01 73.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.402 HG22 ' CG ' ' A' ' 104' ' ' GLU . 23.3 mt -67.07 -34.97 73.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.881 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -64.55 -36.61 84.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.671 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.27 -35.7 40.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.766 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.422 ' CB ' ' HD2' ' A' ' 99' ' ' PRO . 1.1 m-20 -62.93 166.76 7.16 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.737 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.422 ' HD2' ' CB ' ' A' ' 98' ' ' ASP . 9.8 Cg_endo -51.1 120.0 6.15 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.566 2.177 . . . . 0.0 112.087 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.4 tt -83.15 142.62 13.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 CA-C-O 121.185 0.517 . . . . 0.0 111.029 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -170.04 -176.76 39.89 Favored Glycine 0 N--CA 1.451 -0.317 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.408 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -59.83 -30.3 68.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.818 0.342 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -69.32 -31.78 70.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.957 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.402 ' CG ' HG22 ' A' ' 95' ' ' ILE . 0.6 OUTLIER -66.84 -37.02 83.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 18.6 m -72.89 -33.98 66.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.707 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 19.3 m -71.52 -34.06 69.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.759 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -67.55 -35.25 78.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.432 HD21 HD11 ' A' ' 86' ' ' ILE . 1.5 mp -71.91 -36.86 70.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.867 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.661 ' O ' HG13 ' A' ' 112' ' ' VAL . 2.9 tptp -69.85 -31.51 69.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.919 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -72.62 -31.02 64.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 50.6 m -102.59 41.1 1.27 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.661 HG13 ' O ' ' A' ' 109' ' ' LYS . 35.4 m -83.3 143.19 12.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.066 0.46 . . . . 0.0 111.001 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.1 24.61 5.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.189 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.204 0 CA-C-O 120.977 0.417 . . . . 0.0 111.349 179.948 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.933 0.397 . . . . 0.0 110.831 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 28.0 t -107.26 170.66 7.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.847 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.512 HG21 HD12 ' A' ' 86' ' ' ILE . 21.6 t -145.47 157.5 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.075 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . 0.461 ' N ' HG12 ' A' ' 121' ' ' VAL . 49.1 m -112.03 125.19 53.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.81 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 55.6 m -123.57 124.95 43.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.347 -1.252 . . . . 0.0 112.509 -179.961 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.0 tp . . . . . 0 C--O 1.228 -0.037 0 CA-C-O 120.674 0.273 . . . . 0.0 110.617 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.28 121.7 36.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.033 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 15.1 p -125.02 166.85 15.62 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.017 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.41 HD23 ' C ' ' A' ' 78' ' ' ASN . 0.4 OUTLIER -95.5 122.92 38.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.969 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.433 ' CB ' ' HD2' ' A' ' 76' ' ' PRO . 0.5 OUTLIER -66.14 167.88 10.97 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.741 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.433 ' HD2' ' CB ' ' A' ' 75' ' ' THR . 10.0 Cg_endo -51.58 -25.3 19.32 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.469 2.112 . . . . 0.0 111.989 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.01 8.59 43.29 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.071 179.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.41 ' C ' HD23 ' A' ' 74' ' ' LEU . 3.6 m120 68.33 38.81 2.41 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.823 0.344 . . . . 0.0 111.048 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.69 133.58 20.2 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.492 179.595 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -56.84 120.02 7.65 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.354 2.036 . . . . 0.0 112.243 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -143.3 -150.8 5.36 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.361 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.05 147.39 50.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.79 0.329 . . . . 0.0 110.97 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 40.6 t -109.84 125.96 53.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.738 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 4.7 m -137.81 157.27 32.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.868 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -52.31 -178.09 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.117 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.88 HD12 HG21 ' A' ' 121' ' ' VAL . 2.1 tp -93.84 23.39 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.417 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -145.01 33.88 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.947 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -141.15 -49.48 0.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.174 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 36.9 t -54.17 129.22 34.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.206 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.7 t -69.0 -35.72 77.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.842 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -60.57 -38.37 84.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.654 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.42 -40.22 96.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.78 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.06 -34.06 77.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.936 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -64.97 -41.95 94.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.826 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 30.7 mm -69.47 -37.38 74.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.884 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -70.03 -32.81 71.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.808 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -69.62 -31.66 69.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.951 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -88.79 171.15 9.6 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -51.57 178.1 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.626 2.217 . . . . 0.0 112.29 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.9 mt -122.5 150.5 26.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.049 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -168.38 169.05 41.34 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.527 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -60.87 -34.3 74.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.834 0.35 . . . . 0.0 110.87 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.66 -33.02 74.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.789 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.71 -31.93 65.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.782 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.65 -34.86 74.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.4 m -71.71 -37.54 70.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.805 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -68.21 -33.98 75.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.38 -43.52 73.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.79 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.25 -26.17 68.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -83.82 -27.1 29.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.08 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.59 46.37 1.63 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.092 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 9.3 p -125.77 149.75 30.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.187 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.1 m -90.24 51.01 1.94 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.697 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.965 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 7.2 p30 . . . . . 0 CA--C 1.534 0.337 0 N-CA-C 110.477 -0.194 . . . . 0.0 110.477 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 66.48 142.08 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.853 0.359 . . . . 0.0 110.89 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.88 HG21 HD12 ' A' ' 86' ' ' ILE . 12.3 t -139.36 159.24 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.198 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . 0.452 ' N ' HG12 ' A' ' 121' ' ' VAL . 1.3 m -111.89 123.96 51.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.769 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 86.5 m -132.33 119.0 20.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.815 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.174 0 CA-C-O 118.362 -1.243 . . . . 0.0 112.538 -179.975 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.55 HD23 ' N ' ' A' ' 72' ' ' SER . 2.2 tt . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.856 0.36 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.55 ' N ' HD23 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -102.27 121.97 43.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.796 179.883 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 27.8 p -124.84 153.93 41.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.973 0.416 . . . . 0.0 111.207 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.7 mp -93.85 122.83 36.75 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.753 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.462 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 1.8 p -67.08 166.26 21.3 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.755 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.462 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 74.5 Cg_exo -49.61 -36.95 42.22 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.374 2.049 . . . . 0.0 112.077 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.442 ' O ' ' CB ' ' A' ' 78' ' ' ASN . 14.8 p30 -74.53 -21.02 59.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.716 179.411 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.442 ' CB ' ' O ' ' A' ' 77' ' ' ASP . 33.9 m-80 89.0 45.77 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.948 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.6 tttm -114.11 135.94 22.16 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.834 179.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_exo -50.54 123.86 12.2 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.132 1.888 . . . . 0.0 112.606 -179.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -142.06 -157.79 7.29 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.126 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 53.6 pttt -134.16 147.26 50.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.881 0.372 . . . . 0.0 111.039 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.4 t -109.71 125.53 52.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.548 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.465 HG23 ' HB2' ' A' ' 89' ' ' CYS . 21.4 m -142.15 157.13 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.246 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -56.35 -176.0 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.181 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.631 HG22 ' CG2' ' A' ' 121' ' ' VAL . 18.2 pt -88.06 3.81 5.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.503 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -123.8 26.95 7.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.969 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 25.5 tptp -134.51 -42.15 0.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.799 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . 0.465 ' HB2' HG23 ' A' ' 84' ' ' VAL . 4.5 t -69.13 116.73 9.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.949 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 16.4 m -59.29 -29.99 67.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.971 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.66 -38.8 78.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.78 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -62.09 -41.24 97.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.736 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.99 -34.53 78.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.893 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -67.36 -43.31 81.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.907 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.409 HG22 HD11 ' A' ' 100' ' ' ILE . 33.9 mm -66.3 -34.94 73.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.827 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.28 -31.36 72.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.733 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -77.12 -30.84 55.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.72 119.99 72.48 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.82 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.75 106.41 0.17 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.549 2.166 . . . . 0.0 112.322 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.409 HD11 HG22 ' A' ' 95' ' ' ILE . 2.4 pp -153.16 158.79 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.183 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -132.9 -81.72 0.19 Allowed Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.554 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -58.91 -32.08 69.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.891 0.377 . . . . 0.0 110.976 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -60.13 -30.04 69.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.964 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -72.47 -34.36 67.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 11.3 m -69.43 -37.94 77.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.61 -34.44 67.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.761 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -71.96 -33.97 68.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.733 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.02 -38.08 75.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm -71.12 -29.76 65.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.964 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 12.2 m-20 -88.71 -30.35 19.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.082 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 64.0 m -101.22 39.0 1.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.082 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.9 p -105.75 147.96 10.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.016 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -96.25 33.51 1.75 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.993 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.223 179.902 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.851 0.358 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.1 m -152.34 172.76 15.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.017 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.631 ' CG2' HG22 ' A' ' 86' ' ' ILE . 12.3 t -142.79 157.74 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . 0.419 ' N ' HG12 ' A' ' 121' ' ' VAL . 40.5 t -111.64 124.81 53.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.694 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 13.0 m -121.36 123.79 43.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.874 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.371 -1.238 . . . . 0.0 112.473 179.956 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.55 HD23 ' N ' ' A' ' 72' ' ' SER . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.791 0.329 . . . . 0.0 111.035 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.55 ' N ' HD23 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -100.56 127.13 47.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.787 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 24.1 p -125.21 161.93 25.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.874 0.369 . . . . 0.0 111.132 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.2 mp -102.96 122.92 45.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.856 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.537 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 2.3 p -65.06 165.39 16.52 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.685 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.537 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 9.6 Cg_endo -50.8 -25.02 14.49 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.562 2.175 . . . . 0.0 112.111 179.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.52 9.2 43.05 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.183 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.9 m120 67.63 40.67 2.47 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.839 0.352 . . . . 0.0 111.106 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.15 129.19 25.6 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.368 179.448 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.14 123.71 13.19 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.199 1.933 . . . . 0.0 112.437 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -145.46 -159.19 8.01 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.385 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 27.3 mmtt -133.72 146.56 50.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.909 0.385 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 53.6 t -109.87 126.9 54.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.825 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.3 m -141.24 157.09 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.981 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -50.66 176.43 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.195 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.606 HG22 HG23 ' A' ' 121' ' ' VAL . 1.0 OUTLIER -83.22 0.68 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.569 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -123.14 22.55 9.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.966 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.84 -38.45 2.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.756 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 2.9 t -72.9 115.12 11.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.715 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.27 -33.57 67.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.004 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.24 -38.19 82.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.946 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.506 ' O ' HG22 ' A' ' 95' ' ' ILE . 0.4 OUTLIER -69.72 -38.09 76.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.71 179.776 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.25 -32.78 74.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.224 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.17 -43.57 73.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.047 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.506 HG22 ' O ' ' A' ' 92' ' ' LEU . 0.7 OUTLIER -69.75 -34.73 62.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.682 179.84 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -69.08 -32.85 72.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.716 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -67.12 -31.73 72.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.739 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.405 ' CB ' ' HD2' ' A' ' 99' ' ' PRO . 2.4 m-20 -102.84 166.01 12.67 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.739 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.405 ' HD2' ' CB ' ' A' ' 98' ' ' ASP . 9.4 Cg_endo -52.36 149.57 22.63 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.573 2.182 . . . . 0.0 112.11 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.8 mp -103.92 142.27 17.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.33 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -134.39 -167.3 11.45 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.388 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -67.07 -31.69 72.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.732 0.301 . . . . 0.0 110.971 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -64.31 -29.94 71.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -71.96 -37.64 69.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.7 m -70.66 -38.52 73.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.827 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 64.3 m -69.25 -33.92 74.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.758 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.15 -41.72 73.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.72 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.597 ' O ' HD13 ' A' ' 108' ' ' LEU . 0.2 OUTLIER -64.21 -36.47 84.19 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.841 179.872 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.453 ' O ' HG12 ' A' ' 112' ' ' VAL . 20.9 mtpt -63.54 -39.2 93.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.284 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.412 ' OD1' ' N ' ' A' ' 111' ' ' SER . 22.1 p30 -88.19 -27.49 21.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.208 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.412 ' N ' ' OD1' ' A' ' 110' ' ' ASN . 0.2 OUTLIER -97.01 32.15 2.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.007 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.453 HG12 ' O ' ' A' ' 109' ' ' LYS . 12.2 p -99.14 143.36 13.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.937 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 98.0 m -96.62 35.39 1.51 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.956 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.174 179.952 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.837 0.351 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -141.99 163.81 31.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.778 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.606 HG23 HG22 ' A' ' 86' ' ' ILE . 20.6 t -144.94 158.4 14.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.044 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . 0.471 ' N ' HG12 ' A' ' 121' ' ' VAL . 50.3 t -111.74 123.75 50.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.785 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 13.2 m -117.91 119.04 33.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.8 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.532 179.926 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.5 tp . . . . . 0 N--CA 1.458 -0.042 0 CA-C-O 120.773 0.32 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.73 131.56 37.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.859 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.456 ' HB2' ' HB2' ' A' ' 83' ' ' CYS . 13.4 t -124.95 158.99 32.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.237 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.5 mp -105.55 125.57 51.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.796 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.536 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 30.6 p -60.95 168.85 2.35 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.623 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.536 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 64.2 Cg_exo -52.04 -24.73 20.4 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.247 1.965 . . . . 0.0 112.029 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -98.02 9.27 43.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.181 179.619 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 71.36 35.83 1.45 Allowed 'General case' 0 C--N 1.334 -0.097 0 CA-C-O 121.002 0.43 . . . . 0.0 110.931 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -96.79 142.5 24.63 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.451 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_endo -58.16 121.99 10.94 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.376 2.051 . . . . 0.0 112.266 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -141.16 -158.8 7.67 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.388 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.04 152.18 51.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.885 0.374 . . . . 0.0 111.116 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.456 ' HB2' ' HB2' ' A' ' 73' ' ' CYS . 41.0 t -110.31 125.65 53.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.814 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 29.1 m -142.39 157.11 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.961 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.02 -170.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.78 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.512 HG23 ' O ' ' A' ' 119' ' ' ASN . 18.2 pt -87.37 6.42 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.58 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -116.38 25.73 10.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.4 tttp -141.82 -43.58 0.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.102 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -54.84 125.43 20.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.012 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 27.0 p -59.57 -30.22 68.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -57.54 -33.19 67.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.929 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.7 ' HA ' HD12 ' A' ' 95' ' ' ILE . 0.4 OUTLIER -69.78 -39.6 76.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.785 179.879 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.1 -34.36 78.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.128 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -67.44 -38.46 84.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.7 HD12 ' HA ' ' A' ' 92' ' ' LEU . 9.7 mt -67.53 -34.99 71.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.0 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -35.56 79.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.95 -31.86 21.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -156.92 88.47 2.67 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.948 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -81.71 55.9 5.7 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 122.442 2.095 . . . . 0.0 112.533 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.7 tt -112.68 145.85 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.972 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 106.6 103.09 2.85 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.502 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.536 ' O ' HG22 ' A' ' 105' ' ' THR . 0.0 OUTLIER -64.34 -27.57 69.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.742 0.306 . . . . 0.0 110.994 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -71.94 -28.9 63.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.983 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -69.58 -39.17 77.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.031 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.536 HG22 ' O ' ' A' ' 102' ' ' GLU . 8.8 t -71.42 -34.31 70.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.79 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 8.9 m -71.59 -33.83 69.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.723 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.435 ' CE2' ' HG2' ' A' ' 76' ' ' PRO . 1.2 t80 -69.5 -34.08 73.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.1 tp -68.34 -38.64 81.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.93 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.567 ' O ' HG23 ' A' ' 112' ' ' VAL . 0.1 OUTLIER -69.5 -30.32 68.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.907 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -83.28 -25.19 31.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.964 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 61.3 p -102.55 40.49 1.35 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.952 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 109' ' ' LYS . 19.6 t -91.32 158.94 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.941 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.48 ' N ' HG12 ' A' ' 112' ' ' VAL . 0.1 OUTLIER -98.79 27.13 5.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.141 -179.827 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.146 179.991 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . 0.512 ' O ' HG23 ' A' ' 86' ' ' ILE . 1.2 t-20 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.683 0.278 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 76.1 p -102.36 125.52 49.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.887 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.497 HG12 ' N ' ' A' ' 122' ' ' CYS . 15.8 t -119.83 161.86 18.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.11 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . 0.497 ' N ' HG12 ' A' ' 121' ' ' VAL . 92.4 m -111.62 123.89 51.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.83 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.8 m -123.97 119.01 28.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.765 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.477 -1.179 . . . . 0.0 112.56 -179.978 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.0 tp . . . . . 0 N--CA 1.456 -0.172 0 CA-C-O 120.893 0.378 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.59 126.59 38.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.976 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 15.2 t -124.95 158.74 32.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.034 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.1 mp -107.39 123.35 48.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.783 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.652 HG23 ' O ' ' A' ' 79' ' ' LYS . 11.7 p -60.8 169.27 2.01 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.832 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.485 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 53.4 Cg_exo -52.86 -27.36 34.53 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.389 2.059 . . . . 0.0 111.881 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.96 7.16 46.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.095 179.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 19.0 m-20 72.72 37.64 0.83 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.864 0.364 . . . . 0.0 110.94 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.652 ' O ' HG23 ' A' ' 75' ' ' THR . 6.0 tptt -99.7 138.28 20.37 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.461 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_exo -51.53 126.5 19.69 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.425 2.083 . . . . 0.0 112.469 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -147.9 -166.21 12.51 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.179 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.46 151.02 51.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.784 0.326 . . . . 0.0 110.933 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 44.7 t -109.9 125.94 53.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.83 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.403 ' HB ' ' HG3' ' A' ' 88' ' ' LYS . 15.2 m -135.63 157.35 39.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.172 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.409 ' CB ' ' HD3' ' A' ' 88' ' ' LYS . 0.9 OUTLIER -52.06 -177.35 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.304 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.911 HG22 HG23 ' A' ' 121' ' ' VAL . 1.0 OUTLIER -99.07 35.1 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.278 0.561 . . . . 0.0 111.175 -179.695 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.3 pttm -154.23 46.7 0.59 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.434 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.409 ' HD3' ' CB ' ' A' ' 85' ' ' ASN . 0.9 OUTLIER -164.02 -43.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.376 179.667 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 8.6 t -57.43 130.68 47.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.824 0.345 . . . . 0.0 110.877 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 72.4 p -58.39 -34.54 70.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.069 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.589 ' CE1' HD11 ' A' ' 95' ' ' ILE . 63.1 t-80 -59.58 -36.59 76.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.907 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.443 HD21 HG21 ' A' ' 121' ' ' VAL . 1.2 mm? -70.15 -38.82 75.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.715 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.09 -32.99 74.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.049 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -69.69 -39.12 77.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.589 HD11 ' CE1' ' A' ' 91' ' ' HIS . 14.2 mt -70.69 -37.36 68.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.015 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -70.2 -30.92 68.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.812 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -83.33 -33.72 25.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.019 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.34 161.55 24.92 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.979 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.02 162.06 4.35 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.488 2.125 . . . . 0.0 112.271 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 16.0 tt -113.18 151.34 15.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.989 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -151.88 175.39 30.66 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.459 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -66.82 -34.18 77.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.878 0.37 . . . . 0.0 110.987 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -70.01 -33.06 71.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -74.8 -32.05 61.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.9 m -73.49 -33.37 64.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.1 m -72.87 -38.55 66.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -72.2 -34.19 68.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.652 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 9.7 tt -72.1 -34.95 69.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.54 ' O ' HG23 ' A' ' 112' ' ' VAL . 0.1 OUTLIER -70.27 -30.61 67.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 17.5 m-20 -78.68 -26.64 44.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.934 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.3 p -97.24 38.47 1.25 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.863 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 109' ' ' LYS . 17.6 t -101.49 159.73 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.483 ' N ' HG12 ' A' ' 112' ' ' VAL . 0.1 OUTLIER -80.18 58.16 2.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.89 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 58.31 99.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.225 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 120.31 118.02 2.63 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.45 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_exo -51.31 -26.26 20.2 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.587 2.191 . . . . 0.0 112.363 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -135.62 107.91 7.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.963 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -154.6 17.71 0.46 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 46.93 29.2 0.98 Allowed 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.791 0.329 . . . . 0.0 111.333 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -143.85 158.87 43.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.069 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.911 HG23 HG22 ' A' ' 86' ' ' ILE . 12.1 t -139.14 163.05 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.758 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . 0.498 ' N ' HG12 ' A' ' 121' ' ' VAL . 16.4 m -111.62 123.92 51.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.887 0.375 . . . . 0.0 110.691 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 10.3 m -119.21 118.86 32.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.82 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.423 ' HA3' HG22 ' A' ' 75' ' ' THR . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.412 -1.216 . . . . 0.0 112.552 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.839 0.352 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.9 128.51 33.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.966 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 19.7 p -124.87 159.34 31.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.035 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -101.82 122.91 44.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.555 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 72.6 p -65.6 168.19 9.06 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.485 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.555 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 76.1 Cg_exo -51.56 -27.64 26.0 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.207 1.938 . . . . 0.0 112.087 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.44 7.17 44.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.104 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 68.14 38.73 2.58 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.848 0.356 . . . . 0.0 111.118 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.43 128.58 32.65 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.406 179.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.18 121.99 10.84 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.321 2.014 . . . . 0.0 112.404 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -148.2 -158.3 7.9 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.447 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.1 mtpm? -133.39 146.09 50.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.688 0.28 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 48.5 t -109.92 125.92 53.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.962 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 15.6 m -127.54 156.07 39.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.077 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -56.45 -175.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.828 HD13 HG23 ' A' ' 121' ' ' VAL . 16.5 mm -87.8 51.84 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.143 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.2 ptmt -171.42 35.62 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.9 tttt -151.36 -44.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.083 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -50.26 137.89 17.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.9 m -58.55 -29.98 66.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.844 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -60.78 -32.15 71.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.477 ' O ' HG22 ' A' ' 95' ' ' ILE . 3.7 mm? -65.7 -44.16 86.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.929 0.395 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.53 -35.02 79.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.018 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -71.02 -41.9 70.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.054 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.477 HG22 ' O ' ' A' ' 92' ' ' LEU . 2.2 tp -68.73 -34.83 66.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.012 0.434 . . . . 0.0 110.519 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -62.55 -32.0 72.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.489 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -72.42 -9.88 59.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.295 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 t70 70.02 66.32 0.45 Allowed Pre-proline 0 C--O 1.232 0.156 0 CA-C-O 120.792 0.33 . . . . 0.0 110.836 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -89.26 -167.73 0.29 Allowed 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 123.004 2.469 . . . . 0.0 112.527 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.9 tt -129.46 144.19 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.784 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 133.48 106.65 0.97 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.462 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -67.07 -30.99 71.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.856 0.36 . . . . 0.0 111.059 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -59.73 -30.92 69.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -71.07 -36.65 72.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.68 -36.46 67.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.814 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.6 m -71.56 -33.89 69.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.688 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -68.5 -34.43 75.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.7 mt -68.75 -39.82 80.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -30.77 67.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.907 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -82.78 -28.73 30.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.052 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.36 37.81 1.32 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.99 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.1 p -92.59 131.38 39.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.166 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.2 m -71.42 63.73 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.81 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.74 142.46 58.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.052 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 124.66 -91.34 0.42 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.441 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.87 -47.79 25.54 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.628 2.219 . . . . 0.0 112.195 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -151.79 165.9 33.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.85 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.03 -40.34 13.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.961 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 24.8 m-20 -80.71 80.12 7.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.491 ' N ' HD11 ' A' ' 86' ' ' ILE . 70.0 m -159.23 143.19 15.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.828 HG23 HD13 ' A' ' 86' ' ' ILE . 79.7 t -130.1 157.88 42.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . 0.467 ' N ' HG12 ' A' ' 121' ' ' VAL . 1.3 m -111.89 128.9 56.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.991 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 5.5 m -126.31 118.98 26.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.757 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.436 -1.202 . . . . 0.0 112.496 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.764 0.316 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.34 130.4 34.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.711 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 22.3 t -124.95 158.09 34.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.082 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -105.89 125.62 51.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.866 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.54 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 31.0 p -62.42 168.38 4.19 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.688 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.54 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 72.6 Cg_exo -51.81 -24.99 19.79 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.367 2.045 . . . . 0.0 112.082 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.48 9.97 41.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 21.2 m-20 69.71 38.14 1.74 Allowed 'General case' 0 C--N 1.334 -0.103 0 CA-C-O 120.819 0.342 . . . . 0.0 111.013 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.417 ' O ' HG23 ' A' ' 75' ' ' THR . 0.2 OUTLIER -99.16 133.39 22.14 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.508 179.631 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -51.76 125.82 18.07 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.342 2.028 . . . . 0.0 112.448 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -147.32 -162.19 9.85 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.884 -0.675 . . . . 0.0 112.327 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -134.0 152.0 51.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.885 0.374 . . . . 0.0 110.996 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 50.6 t -109.85 125.92 53.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.825 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 18.2 m -140.11 157.05 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.073 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -51.75 178.57 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.302 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.435 ' HA ' HD22 ' A' ' 92' ' ' LEU . 1.4 pp -85.5 3.51 3.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.495 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.3 ptmt -126.15 22.44 7.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.068 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.26 -37.7 2.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.772 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.44 ' HB3' HD12 ' A' ' 92' ' ' LEU . 2.6 t -73.34 126.14 29.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.793 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.9 t -60.44 -33.88 73.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.048 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -61.36 -38.85 88.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.897 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.744 ' HG ' HD21 ' A' ' 108' ' ' LEU . 0.2 OUTLIER -68.28 -40.32 81.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.778 179.898 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.07 -32.46 74.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.59 -38.09 77.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.894 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.531 HD12 ' HA ' ' A' ' 92' ' ' LEU . 11.3 mt -70.51 -37.19 69.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.021 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -70.14 -30.93 68.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.956 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -75.16 -32.16 61.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.011 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -123.52 104.92 33.67 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.941 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.18 62.23 2.59 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.475 2.117 . . . . 0.0 112.286 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.8 pp -148.12 173.86 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.075 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 79.69 81.05 0.77 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.419 ' O ' HG22 ' A' ' 105' ' ' THR . 2.3 mt-10 -62.82 -31.67 72.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.834 0.349 . . . . 0.0 110.949 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -72.11 -27.93 62.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.044 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -73.5 -40.43 64.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.032 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.419 HG22 ' O ' ' A' ' 102' ' ' GLU . 12.8 t -72.12 -29.98 64.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 34.9 m -76.02 -35.68 59.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.77 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.402 ' CE1' ' HG2' ' A' ' 76' ' ' PRO . 1.7 t80 -69.94 -33.86 72.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.611 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.744 HD21 ' HG ' ' A' ' 92' ' ' LEU . 10.8 tp -66.17 -38.85 89.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.413 ' HA ' ' CG1' ' A' ' 112' ' ' VAL . 0.0 OUTLIER -71.02 -31.03 67.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 179.835 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -75.37 -29.19 59.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.748 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.1 t -103.3 41.85 1.22 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.68 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.413 ' CG1' ' HA ' ' A' ' 109' ' ' LYS . 28.1 m -89.86 146.0 6.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.72 62.54 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.895 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.91 156.83 8.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.091 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 121.81 -91.86 0.48 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.417 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -69.13 -169.02 0.27 Allowed 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.475 2.117 . . . . 0.0 112.085 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -130.54 105.4 7.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -179.83 26.48 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.399 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 9.0 m120 43.81 90.77 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.678 0.275 . . . . 0.0 111.378 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 69.7 m -135.68 160.92 37.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.858 0.361 . . . . 0.0 111.186 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.49 HG12 ' N ' ' A' ' 122' ' ' CYS . 13.4 t -131.66 161.58 40.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.937 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . 0.49 ' N ' HG12 ' A' ' 121' ' ' VAL . 78.4 m -111.7 123.87 51.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.794 0.33 . . . . 0.0 111.13 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 75.7 m -122.35 118.85 29.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.763 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.389 -1.228 . . . . 0.0 112.516 -179.986 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.6 tp . . . . . 0 C--O 1.227 -0.105 0 CA-C-O 120.779 0.323 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.93 123.23 32.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.733 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 19.8 p -125.0 152.95 43.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.087 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.87 122.83 36.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.835 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.528 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 2.2 p -67.62 164.93 34.47 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.736 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.528 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 9.6 Cg_endo -51.06 -25.68 17.16 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.528 2.152 . . . . 0.0 111.918 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.94 9.21 41.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.109 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.3 m120 64.7 43.38 4.23 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.919 0.39 . . . . 0.0 111.215 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -106.34 118.75 53.94 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.273 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_exo -49.59 121.69 7.6 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.292 1.995 . . . . 0.0 112.347 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -147.64 -156.28 6.94 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.445 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -133.99 150.62 51.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.829 0.347 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 39.5 t -109.89 125.99 53.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.616 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 5.7 m -141.58 157.16 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.959 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -54.32 176.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.189 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.499 HG22 ' CG2' ' A' ' 121' ' ' VAL . 1.0 OUTLIER -80.48 -1.67 4.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.541 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.6 mttm -109.69 22.1 16.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.887 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.6 tttm -136.57 -39.13 0.65 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.781 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -57.21 116.83 3.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.59 -31.75 72.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.933 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 41.4 m-70 -59.8 -35.83 75.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.79 -40.33 83.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.798 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.09 -33.53 76.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.093 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -66.78 -40.81 88.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.766 HG23 ' HG2' ' A' ' 104' ' ' GLU . 27.0 mt -67.61 -34.91 71.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.994 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -67.79 -32.9 73.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.82 -32.52 21.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.96 160.13 61.34 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.8 -172.09 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.644 2.229 . . . . 0.0 112.273 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.6 pt -87.37 -179.48 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 158.43 130.57 1.19 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.507 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -30.76 69.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.82 0.343 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.466 ' O ' HG22 ' A' ' 106' ' ' THR . 1.4 m-20 -63.68 -28.62 70.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.766 ' HG2' HG23 ' A' ' 95' ' ' ILE . 1.3 mp0 -75.16 -34.6 61.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.765 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 57.7 m -74.1 -35.75 64.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.466 HG22 ' O ' ' A' ' 103' ' ' ASP . 4.8 t -72.35 -33.9 67.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.709 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -69.42 -34.12 73.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 38.0 tp -71.9 -38.1 70.0 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.415 ' HA ' ' CG1' ' A' ' 112' ' ' VAL . 9.7 mttt -71.06 -29.28 65.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.005 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -76.07 -29.86 58.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.9 m -105.29 42.2 1.26 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.937 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.415 ' CG1' ' HA ' ' A' ' 109' ' ' LYS . 28.1 m -87.67 131.56 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.201 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.412 ' HB3' ' CB ' ' A' ' 120' ' ' SER . 0.1 OUTLIER -96.98 36.87 1.36 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.875 179.904 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 61.82 101.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.205 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -176.38 132.7 2.14 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.463 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.59 122.61 11.89 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.48 2.12 . . . . 0.0 112.372 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 63.55 -79.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.985 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -159.05 135.55 9.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.445 ' C ' HG23 ' A' ' 86' ' ' ILE . 1.6 t-20 -179.29 -38.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.816 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.412 ' CB ' ' HB3' ' A' ' 113' ' ' CYS . 1.1 m -123.09 134.23 54.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.819 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.499 ' CG2' HG22 ' A' ' 86' ' ' ILE . 11.8 t -140.48 161.89 24.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.065 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . 0.477 ' N ' HG12 ' A' ' 121' ' ' VAL . 1.5 m -111.76 124.22 51.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.856 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 18.3 m -129.3 118.98 23.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.817 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.398 -1.223 . . . . 0.0 112.45 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.69 0.281 . . . . 0.0 110.786 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.45 126.4 40.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.861 0.362 . . . . 0.0 110.797 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 17.6 p -134.3 166.02 23.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.081 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.5 mp -98.57 123.54 42.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.806 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.571 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 26.9 p -65.99 167.68 11.17 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.614 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.571 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 76.4 Cg_exo -50.92 -25.61 16.28 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.319 2.013 . . . . 0.0 112.096 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.93 7.82 43.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.104 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 65.22 39.34 5.47 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.9 0.381 . . . . 0.0 111.178 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -107.18 134.78 19.77 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.301 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -50.89 125.46 16.07 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.327 2.018 . . . . 0.0 112.485 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -153.49 -159.45 9.13 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.543 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.9 pttm -133.72 152.32 51.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.69 0.281 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 35.2 t -109.77 128.23 55.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.653 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.4 m -134.25 157.22 41.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.932 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -53.77 -175.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.082 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.708 HD11 HD12 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -96.04 23.84 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 -179.857 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.433 ' HD2' HG23 ' A' ' 86' ' ' ILE . 2.9 mptt -150.49 29.38 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.816 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -131.29 -44.16 1.03 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.8 t -66.7 135.53 54.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.981 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 49.9 p -68.27 -29.93 68.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 44.1 m170 -56.65 -41.57 77.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.726 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.708 HD12 HD11 ' A' ' 86' ' ' ILE . 3.8 mm? -60.67 -40.75 93.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.799 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.03 -34.44 78.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.938 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.76 -43.71 79.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 34.2 mm -66.33 -34.94 73.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.868 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.23 -31.2 71.87 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.844 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.95 -31.27 45.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -139.97 60.79 16.1 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.39 93.73 0.67 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.519 2.146 . . . . 0.0 112.355 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.489 ' C ' HD12 ' A' ' 100' ' ' ILE . 2.6 pp -147.2 171.56 3.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 76.69 112.06 0.14 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.548 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -60.4 -32.27 71.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.793 0.33 . . . . 0.0 110.802 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -63.04 -32.57 73.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.16 -33.57 70.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.17 -36.15 71.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.0 m -69.17 -33.96 74.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -69.97 -34.03 72.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.8 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.11 -35.89 76.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.441 ' O ' HG12 ' A' ' 112' ' ' VAL . 5.0 mttm -71.0 -30.49 66.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -82.35 -29.36 31.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.3 t -97.3 38.54 1.25 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.441 HG12 ' O ' ' A' ' 109' ' ' LYS . 14.4 p -100.97 142.0 16.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.05 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.8 m -95.07 38.71 1.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.05 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -176.01 177.24 1.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.086 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -104.33 -91.94 2.23 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.523 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.88 -59.68 0.97 Allowed 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.611 2.208 . . . . 0.0 112.345 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -60.75 175.71 0.46 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -148.89 30.94 0.79 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -99.45 28.61 4.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.968 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.17 143.82 27.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.536 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.496 HG12 ' N ' ' A' ' 122' ' ' CYS . 15.5 t -146.2 161.9 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.119 -179.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . 0.496 ' N ' HG12 ' A' ' 121' ' ' VAL . 1.2 m -111.64 123.88 51.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.637 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 32.7 m -116.83 119.22 34.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.906 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.394 -1.225 . . . . 0.0 112.497 -179.938 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.417 ' O ' ' HA ' ' A' ' 82' ' ' LYS . 9.3 mp . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.627 0.251 . . . . 0.0 110.58 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.53 121.72 40.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.948 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.407 ' HB3' ' HB2' ' A' ' 83' ' ' CYS . 25.8 p -124.92 157.95 34.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.909 0.385 . . . . 0.0 111.545 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.0 mp -109.02 122.8 48.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.745 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.539 HG21 ' HE2' ' A' ' 79' ' ' LYS . 3.5 p -74.11 172.83 7.58 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.655 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.481 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 53.4 Cg_exo -52.82 -30.76 48.66 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.297 1.998 . . . . 0.0 111.728 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.87 -7.65 58.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.86 179.368 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.2 m120 70.78 38.88 1.15 Allowed 'General case' 0 C--O 1.231 0.108 0 CA-C-O 121.049 0.452 . . . . 0.0 110.946 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.539 ' HE2' HG21 ' A' ' 75' ' ' THR . 7.0 pttt -104.7 108.5 61.03 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.841 179.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -43.52 124.57 4.29 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.51 2.14 . . . . 0.0 112.853 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -142.72 -146.19 4.57 Favored Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.921 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 1.7 mttp -134.16 148.92 51.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.767 0.318 . . . . 0.0 111.132 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.407 ' HB2' ' HB3' ' A' ' 73' ' ' CYS . 14.7 t -109.72 130.09 55.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.018 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.411 ' HB ' ' HB3' ' A' ' 88' ' ' LYS . 21.3 m -141.42 157.07 21.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.93 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 -54.99 -175.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.053 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.661 HG23 ' O ' ' A' ' 119' ' ' ASN . 1.4 pp -90.93 10.76 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.34 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -135.6 27.2 3.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.411 ' HB3' ' HB ' ' A' ' 84' ' ' VAL . 3.0 tttm -125.88 -43.79 1.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -68.69 115.49 8.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.6 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 43.6 p -56.88 -30.6 64.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.205 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -61.15 -35.44 77.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.832 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.618 HD13 ' O ' ' A' ' 86' ' ' ILE . 1.5 tt -70.49 -42.33 71.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.677 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.18 -30.81 71.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.075 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -70.28 -40.53 74.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.978 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.447 HG23 ' HG2' ' A' ' 104' ' ' GLU . 11.8 mt -68.11 -34.87 69.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -68.45 -34.49 76.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.022 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -85.96 -34.94 20.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.065 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -88.56 163.02 37.48 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.854 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -50.51 125.78 16.27 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.557 2.172 . . . . 0.0 112.371 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.3 tt -108.94 157.08 9.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.017 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -146.51 -176.45 20.33 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.451 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -66.02 -32.96 74.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.761 0.315 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -70.64 -32.03 69.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.447 ' HG2' HG23 ' A' ' 95' ' ' ILE . 1.1 tp10 -71.25 -33.55 69.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.0 m -70.46 -36.02 73.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.9 m -72.11 -33.87 68.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.773 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -69.71 -33.99 73.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.744 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.436 HD21 ' HG ' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -68.5 -42.5 78.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.828 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.478 ' O ' HG13 ' A' ' 112' ' ' VAL . 11.5 mtpp -70.98 -31.13 67.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.752 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.55 -31.7 63.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.7 m -97.6 38.3 1.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.798 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.553 HG23 ' H ' ' A' ' 114' ' ' ALA . 35.7 m -89.08 175.59 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.211 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -95.35 28.02 3.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.177 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.553 ' H ' HG23 ' A' ' 112' ' ' VAL . . . 52.79 -179.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.459 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 66.66 137.7 0.04 OUTLIER Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.586 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.431 ' O ' ' O ' ' A' ' 117' ' ' GLU . 73.2 Cg_endo -75.93 159.95 37.51 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.543 2.162 . . . . 0.0 112.294 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' A' ' 116' ' ' PRO . 17.5 pt-20 44.52 104.89 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.184 0.516 . . . . 0.0 111.77 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -171.06 -38.45 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.148 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.661 ' O ' HG23 ' A' ' 86' ' ' ILE . 4.3 m-20 63.68 31.91 14.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.81 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.1 m -109.81 172.18 7.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.783 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.572 HG23 HG22 ' A' ' 86' ' ' ILE . 17.7 t -142.86 159.89 18.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.173 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . 0.487 ' N ' HG12 ' A' ' 121' ' ' VAL . 42.7 t -111.65 123.77 50.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.637 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 84.5 m -118.35 120.15 36.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.354 -1.248 . . . . 0.0 112.492 -179.965 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 17.8 tp . . . . . 0 C--O 1.229 0.014 0 CA-C-O 120.743 0.306 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.24 130.55 34.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.68 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.414 ' HB2' ' HB2' ' A' ' 83' ' ' CYS . 36.8 t -124.73 156.32 37.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.304 -179.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -116.22 122.86 46.25 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.873 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.614 HG23 ' C ' ' A' ' 124' ' ' GLY . 61.9 p -72.38 169.59 16.23 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.377 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.574 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 75.3 Cg_exo -50.93 -27.36 20.7 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.217 1.945 . . . . 0.0 112.033 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.56 6.25 44.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.073 179.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.2 m120 70.66 31.39 2.82 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.344 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 80' ' ' PRO . 26.5 tptp -82.69 128.26 67.01 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.902 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 79' ' ' LYS . 5.9 Cg_exo -78.92 107.97 2.33 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.37 2.046 . . . . 0.0 113.112 -179.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.486 ' HA3' ' HA3' ' A' ' 124' ' ' GLY . . . -130.03 -144.94 5.69 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.668 -0.697 . . . . 0.0 112.257 179.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.57 152.46 51.8 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.767 0.318 . . . . 0.0 110.917 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.414 ' HB2' ' HB2' ' A' ' 73' ' ' CYS . 17.2 t -109.56 125.66 52.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.387 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 25.3 m -137.56 157.32 33.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.977 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -56.23 -166.31 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.997 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.57 HG22 ' CG2' ' A' ' 121' ' ' VAL . 1.7 pt -97.17 36.11 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.364 0.602 . . . . 0.0 111.158 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.2 pttt -155.16 47.94 0.54 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.02 -46.25 0.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.184 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 2.6 t -65.37 132.96 50.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.051 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.6 m -71.02 -30.0 66.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.955 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -56.31 -34.58 66.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.491 HD11 HG11 ' A' ' 121' ' ' VAL . 8.1 mp -67.8 -40.33 83.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.754 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.95 -32.5 74.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.898 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -66.24 -42.93 87.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.489 HG21 HD11 ' A' ' 108' ' ' LEU . 31.9 mm -68.41 -37.42 77.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.958 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -70.04 -30.94 68.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.937 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -70.61 -30.88 67.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.967 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -145.78 105.35 4.24 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.941 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -68.43 -166.06 0.14 Allowed 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.449 2.099 . . . . 0.0 112.242 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.448 HG22 ' N ' ' A' ' 101' ' ' GLY . 19.2 mm 70.5 157.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.168 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.448 ' N ' HG22 ' A' ' 100' ' ' ILE . . . 108.2 96.89 2.47 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.457 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.0 -33.08 70.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.814 0.34 . . . . 0.0 110.972 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -71.99 -31.07 65.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -72.28 -40.81 67.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.22 -35.21 71.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.705 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 25.0 m -71.34 -34.05 70.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.663 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -66.82 -35.08 79.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.831 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.489 HD11 HG21 ' A' ' 95' ' ' ILE . 8.6 mt -72.11 -39.5 68.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.824 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.8 tmtp? -71.06 -33.41 70.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.943 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -81.56 -28.52 33.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 73.9 m -97.13 37.91 1.29 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.601 HG22 ' H ' ' A' ' 114' ' ' ALA . 11.3 p -90.18 135.73 25.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.006 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.05 29.36 2.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.066 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.601 ' H ' HG22 ' A' ' 112' ' ' VAL . . . -163.36 -175.84 4.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.224 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -117.53 -76.35 0.56 Allowed Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.574 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.26 -34.06 22.54 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.592 2.195 . . . . 0.0 112.307 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.28 172.62 6.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.821 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -136.94 30.35 2.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.87 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.564 ' O ' HG23 ' A' ' 86' ' ' ILE . 5.5 m-20 -78.11 -30.26 49.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.872 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.6 m -100.88 138.95 37.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.789 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.57 ' CG2' HG22 ' A' ' 86' ' ' ILE . 28.3 t -128.8 159.23 40.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.095 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . 0.496 ' N ' HG12 ' A' ' 121' ' ' VAL . 42.4 t -111.84 133.11 54.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.616 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 55.8 m -134.08 118.85 18.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.75 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.614 ' C ' HG23 ' A' ' 75' ' ' THR . . . . . . . . 0 C--O 1.246 0.901 0 CA-C-O 118.175 -1.347 . . . . 0.0 112.6 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.228 -0.035 0 CA-C-O 120.807 0.337 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.23 123.24 36.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.497 179.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 41.8 t -124.79 148.9 47.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.3 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.9 mp -99.38 122.84 43.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.805 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.559 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 34.0 p -61.9 168.31 3.76 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.504 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.559 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 76.1 Cg_exo -50.88 -24.58 13.94 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.272 1.981 . . . . 0.0 112.275 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.39 6.21 49.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.313 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 70.1 35.56 2.13 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.802 0.334 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.68 118.81 65.86 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.415 179.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_exo -50.44 123.6 11.57 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.346 2.031 . . . . 0.0 112.576 -179.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -147.7 -152.4 5.66 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.164 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.6 mttp -133.99 152.08 51.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.77 0.319 . . . . 0.0 110.956 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 52.7 t -109.95 125.95 53.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.836 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 31.6 m -137.65 157.09 33.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.754 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -51.61 177.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.195 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.58 HG22 HG23 ' A' ' 121' ' ' VAL . 1.1 pp -85.5 5.08 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.624 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.8 24.21 5.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.24 -40.76 2.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.934 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 7.8 t -67.36 128.35 36.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.832 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.02 -33.78 75.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.068 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -59.32 -48.88 79.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.948 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.446 HD22 ' HA ' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -59.56 -39.88 85.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.739 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.417 ' HA ' ' HG2' ' A' ' 96' ' ' GLU . . . -65.08 -32.33 73.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.154 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -69.66 -37.65 76.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.823 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 28.6 mm -66.9 -42.0 88.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.074 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.417 ' HG2' ' HA ' ' A' ' 93' ' ' ALA . 12.1 pt-20 -70.11 -35.46 74.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.46 -31.8 71.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.945 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.04 70.71 12.13 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.2 87.41 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.623 2.216 . . . . 0.0 112.231 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.4 mt -137.82 139.27 43.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.169 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.54 99.53 0.79 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.525 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -66.28 -31.14 71.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.766 0.317 . . . . 0.0 110.873 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -69.58 -34.63 74.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.962 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -73.58 -34.56 65.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.748 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 23.3 m -72.75 -31.42 64.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.728 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 26.0 m -70.53 -35.94 73.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.816 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.34 -40.58 89.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.69 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.82 -42.23 95.14 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.687 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -69.1 -31.21 69.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.476 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -67.49 -29.08 68.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.661 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.6 m -94.97 36.93 1.17 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.82 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 120' ' ' SER . 11.9 p -81.81 139.12 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.18 62.95 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.831 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.0 163.24 2.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.209 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 134.7 -149.71 19.92 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.528 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.91 -27.87 25.23 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.569 2.179 . . . . 0.0 112.29 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -97.55 158.97 15.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.962 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -130.03 177.48 7.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.969 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 21.4 m-20 60.07 34.95 21.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.461 ' O ' HG23 ' A' ' 112' ' ' VAL . 2.5 p -126.19 161.05 28.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.991 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.58 HG23 HG22 ' A' ' 86' ' ' ILE . 18.4 t -144.27 160.14 15.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.967 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . 0.482 ' N ' HG12 ' A' ' 121' ' ' VAL . 84.2 m -111.85 124.02 51.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.948 0.404 . . . . 0.0 110.728 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 74.8 m -127.29 124.9 39.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.843 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.521 -179.986 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.2 tt . . . . . 0 N--CA 1.456 -0.135 0 CA-C-O 120.735 0.302 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.94 124.67 47.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 26.8 p -129.02 163.61 25.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.143 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.451 HD22 ' OD1' ' A' ' 78' ' ' ASN . 0.6 OUTLIER -97.4 122.84 40.9 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.945 179.887 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.48 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 0.7 OUTLIER -69.88 168.01 20.51 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.563 179.863 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.48 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 8.7 Cg_endo -50.58 -25.36 14.49 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.484 2.123 . . . . 0.0 112.055 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.63 4.77 53.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.318 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.451 ' OD1' HD22 ' A' ' 74' ' ' LEU . 1.2 m-80 67.57 37.28 3.42 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.929 0.395 . . . . 0.0 111.145 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 43.8 mttt -106.97 136.89 19.4 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.433 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.48 117.73 4.13 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.33 2.02 . . . . 0.0 112.334 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -136.01 -154.77 6.98 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.266 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.7 mtmp? -134.13 147.78 50.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.954 0.406 . . . . 0.0 111.109 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 12.5 t -109.8 126.73 54.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.762 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 28.9 m -142.13 157.18 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -51.1 177.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.262 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.445 HD12 ' HD2' ' A' ' 87' ' ' LYS . 1.1 pp -80.24 -1.73 4.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.626 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.445 ' HD2' HD12 ' A' ' 86' ' ' ILE . 1.2 mptp? -112.61 23.4 13.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.34 -39.5 0.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.977 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.33 128.83 35.97 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.869 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.1 p -71.2 -42.1 69.41 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.077 -0.511 . . . . 0.0 112.164 -179.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.67 ' CE1' HG11 ' A' ' 121' ' ' VAL . 4.1 p-80 -55.96 -33.79 65.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.867 0.365 . . . . 0.0 111.098 -179.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.572 ' O ' HG22 ' A' ' 95' ' ' ILE . 0.2 OUTLIER -67.59 -42.14 82.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.791 179.85 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.2 -29.97 70.83 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.126 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.1 -43.4 67.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.708 ' O ' HD13 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -67.36 -34.55 69.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.754 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.35 -31.93 73.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.711 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -86.02 -31.89 21.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -92.67 162.51 29.11 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.23 -173.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.638 2.226 . . . . 0.0 112.365 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.2 pt -93.3 179.71 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 173.48 138.31 2.61 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.393 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.56 -32.89 71.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.788 0.328 . . . . 0.0 110.795 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.19 -31.35 72.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -68.02 -35.64 78.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.6 -35.5 65.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -73.04 -33.97 66.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.735 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -70.17 -33.94 72.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.844 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.47 -37.82 80.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.795 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.451 ' O ' HG12 ' A' ' 112' ' ' VAL . 5.2 mttm -71.03 -30.59 66.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.806 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -83.43 -28.44 28.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.1 m -97.1 37.49 1.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.451 HG12 ' O ' ' A' ' 109' ' ' LYS . 13.4 p -101.04 147.66 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.966 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 76.2 m -96.99 36.71 1.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.987 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 56.98 172.36 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.248 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 83.54 94.2 0.63 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.616 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -50.8 -49.86 15.57 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.462 2.108 . . . . 0.0 112.307 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -103.02 107.55 18.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.806 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 177.64 -36.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 67.6 77.86 0.25 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.761 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 60.7 p -144.74 146.6 32.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.67 HG11 ' CE1' ' A' ' 91' ' ' HIS . 10.5 t -128.01 162.5 33.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . 0.489 ' N ' HG12 ' A' ' 121' ' ' VAL . 34.9 t -111.69 123.66 50.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.93 0.395 . . . . 0.0 110.744 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 2.0 m -122.56 119.37 30.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.151 0 CA-C-O 118.342 -1.255 . . . . 0.0 112.564 -179.909 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.228 -0.031 0 CA-C-O 120.77 0.319 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.91 124.04 28.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.824 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 17.6 p -124.9 160.08 29.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.976 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -94.03 125.04 38.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.666 HG23 ' O ' ' A' ' 79' ' ' LYS . 18.0 p -61.3 168.77 2.72 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.744 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.498 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 58.5 Cg_exo -52.46 -25.97 26.79 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.393 2.062 . . . . 0.0 112.09 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.88 8.11 45.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.095 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.0 m120 70.95 41.28 0.84 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.838 0.351 . . . . 0.0 110.962 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.666 ' O ' HG23 ' A' ' 75' ' ' THR . 6.2 tttm -106.98 138.75 19.9 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.595 179.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.17 125.38 18.19 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.328 2.019 . . . . 0.0 112.279 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -153.37 -163.15 11.54 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.35 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.7 mttp -133.79 152.54 51.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.668 0.271 . . . . 0.0 110.72 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 50.1 t -109.36 125.84 52.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.53 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.443 ' HB ' ' HD3' ' A' ' 88' ' ' LYS . 2.7 m -138.45 157.33 30.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.27 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.86 -176.9 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.089 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.919 HG22 HG23 ' A' ' 121' ' ' VAL . 1.2 pp -98.7 7.55 8.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.589 -179.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.51 31.97 4.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.594 -179.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.443 ' HD3' ' HB ' ' A' ' 84' ' ' VAL . 0.8 OUTLIER -145.02 -35.1 0.33 Allowed 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.813 179.667 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.443 ' N ' ' HG3' ' A' ' 88' ' ' LYS . 7.6 t -72.02 134.29 45.79 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.841 0.353 . . . . 0.0 110.746 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.41 -33.56 69.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.144 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -59.12 -36.16 74.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.004 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.651 ' HA ' HD12 ' A' ' 95' ' ' ILE . 0.2 OUTLIER -69.15 -39.01 79.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.784 179.883 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.97 -33.13 75.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.112 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -69.47 -39.02 77.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.651 HD12 ' HA ' ' A' ' 92' ' ' LEU . 11.4 mt -66.91 -34.93 73.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.048 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -69.33 -32.16 71.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -70.41 -30.92 67.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -103.79 93.97 5.8 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.37 156.71 63.56 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.428 2.085 . . . . 0.0 112.267 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.424 HG22 ' N ' ' A' ' 101' ' ' GLY . 18.5 mt 61.95 154.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.051 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.424 ' N ' HG22 ' A' ' 100' ' ' ILE . . . 121.68 99.31 1.58 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.541 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.1 -23.99 65.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.777 0.322 . . . . 0.0 111.121 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -60.21 -45.86 91.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.261 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -64.95 -31.88 73.33 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.961 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.489 ' HA ' HD23 ' A' ' 108' ' ' LEU . 5.6 m -71.72 -29.81 64.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 19.8 m -75.61 -33.79 60.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.55 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -70.08 -39.93 75.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.299 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.499 ' C ' HD12 ' A' ' 108' ' ' LEU . 1.7 pp -70.52 -34.79 72.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.758 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.468 ' O ' HG12 ' A' ' 112' ' ' VAL . 0.0 OUTLIER -68.41 -30.29 69.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.855 179.864 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -77.22 -33.47 56.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.928 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 34.2 t -106.95 43.04 1.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.977 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.468 HG12 ' O ' ' A' ' 109' ' ' LYS . 12.4 p -98.79 130.91 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -75.26 63.2 1.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.039 0.447 . . . . 0.0 110.749 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.05 101.15 0.49 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.135 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -152.41 -153.51 6.31 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.544 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.09 -58.78 1.37 Allowed 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.664 2.242 . . . . 0.0 112.285 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -70.72 -179.3 2.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -128.8 160.86 31.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 8.7 m120 60.16 81.24 0.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.943 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 18.2 p -151.67 146.2 25.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.955 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.919 HG23 HG22 ' A' ' 86' ' ' ILE . 35.2 t -130.34 160.72 41.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.709 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . 0.515 ' N ' HG12 ' A' ' 121' ' ' VAL . 1.3 m -111.7 123.81 51.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.994 0.426 . . . . 0.0 110.932 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 55.4 m -119.01 118.93 32.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.597 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.409 -1.217 . . . . 0.0 112.535 -179.851 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.622 HD23 ' N ' ' A' ' 72' ' ' SER . 1.1 tt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.843 0.354 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.622 ' N ' HD23 ' A' ' 71' ' ' LEU . 0.3 OUTLIER -84.41 130.81 34.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.645 179.858 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.434 ' HB2' ' HB2' ' A' ' 83' ' ' CYS . 10.7 t -126.18 151.1 47.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.027 -179.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.3 mp -100.96 123.71 45.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.775 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.604 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 70.0 p -60.77 162.53 11.76 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.467 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.604 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 7.3 Cg_endo -49.45 -25.04 9.8 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.447 2.098 . . . . 0.0 112.174 179.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.71 9.34 43.55 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.391 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 22.9 m-20 70.37 46.8 0.56 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.881 0.372 . . . . 0.0 111.3 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.2 127.99 26.25 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.224 179.44 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -47.94 127.06 14.03 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.43 2.087 . . . . 0.0 112.573 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -151.92 -162.44 10.82 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.433 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.14 152.08 51.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.877 0.37 . . . . 0.0 110.858 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.434 ' HB2' ' HB2' ' A' ' 73' ' ' CYS . 52.4 t -113.36 125.86 54.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 20.0 m -142.14 157.03 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -57.8 -174.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.789 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.558 ' HA ' HD23 ' A' ' 92' ' ' LEU . 0.7 OUTLIER -91.36 49.75 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.974 179.853 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.0 mttm -166.18 32.1 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.778 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.52 -47.22 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.886 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 4.1 t -60.11 124.11 19.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.982 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 47.8 p -58.5 -33.19 69.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.007 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -66.58 -43.85 83.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.558 HD23 ' HA ' ' A' ' 86' ' ' ILE . 6.8 mp -61.38 -38.89 88.66 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.863 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.99 -33.39 75.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.049 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -67.92 -42.89 80.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 39.2 mm -66.47 -34.95 73.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.969 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.2 -33.54 75.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.822 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -81.99 -32.13 30.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.79 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.71 170.39 8.14 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.803 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -50.18 157.59 2.9 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.641 2.227 . . . . 0.0 112.32 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.422 HG22 ' N ' ' A' ' 101' ' ' GLY . 28.6 mm -112.88 155.4 14.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.422 ' N ' HG22 ' A' ' 100' ' ' ILE . . . -155.37 161.23 30.37 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.57 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -59.88 -30.91 69.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.876 0.369 . . . . 0.0 110.953 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.16 -33.66 76.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -73.04 -33.79 65.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.6 m -70.81 -31.84 68.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.776 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.6 m -72.45 -34.54 67.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.37 -34.68 76.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.496 ' O ' HD23 ' A' ' 108' ' ' LEU . 4.6 tt -71.07 -34.98 71.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.52 -32.2 71.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.887 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -77.77 -28.4 50.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.4 p -102.86 41.49 1.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.666 HG22 ' H ' ' A' ' 114' ' ' ALA . 12.2 p -95.93 136.15 27.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 8.9 m -94.0 24.77 4.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.2 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.666 ' H ' HG22 ' A' ' 112' ' ' VAL . . . 56.16 33.2 21.61 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.817 0.342 . . . . 0.0 111.08 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -58.47 139.59 47.93 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.498 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.54 -36.01 2.47 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.508 2.139 . . . . 0.0 112.345 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -156.97 175.78 13.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.034 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.36 9.32 7.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.512 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 46.14 96.27 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 120.834 0.349 . . . . 0.0 111.582 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.96 162.66 13.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.672 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.551 HG21 HD21 ' A' ' 92' ' ' LEU . 20.0 t -144.13 157.35 15.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.328 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . 0.46 ' N ' HG12 ' A' ' 121' ' ' VAL . 44.4 t -111.86 129.72 56.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.725 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 26.9 m -130.78 119.08 21.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.321 -1.266 . . . . 0.0 112.53 179.926 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.761 0.315 . . . . 0.0 110.623 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.37 125.42 32.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.954 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 30.0 p -124.95 148.07 48.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.822 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.6 mp -93.82 123.05 36.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.493 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 7.2 p -67.38 167.2 16.22 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.828 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.493 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 67.5 Cg_exo -51.54 -25.43 19.43 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.389 2.059 . . . . 0.0 112.077 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.42 9.96 39.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.181 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 66.38 39.41 4.0 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.908 0.385 . . . . 0.0 110.933 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.6 ttmt -99.74 132.05 23.65 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.334 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -58.9 121.27 9.67 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.368 2.046 . . . . 0.0 112.349 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -147.4 -162.32 9.94 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.465 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.93 146.55 52.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.785 0.326 . . . . 0.0 110.816 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 18.7 t -109.79 125.99 53.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.733 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 6.1 m -139.31 155.33 25.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.979 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -55.53 170.15 0.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.767 HG23 ' O ' ' A' ' 86' ' ' ILE . 0.1 OUTLIER -82.72 57.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.518 0.675 . . . . 0.0 110.666 179.841 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.35 35.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.829 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.7 tttp -147.65 -46.64 0.17 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.864 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.515 ' HB3' HD23 ' A' ' 92' ' ' LEU . 0.6 OUTLIER -72.27 123.22 22.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.964 179.914 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 18.5 p -59.3 -29.99 68.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.957 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 15.1 t-160 -58.06 -38.87 77.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.013 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.609 HD21 HG11 ' A' ' 121' ' ' VAL . 4.5 mm? -68.05 -39.02 83.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.779 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.09 -33.47 76.1 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.024 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -70.9 -38.28 73.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.83 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.497 HD12 ' HA ' ' A' ' 92' ' ' LEU . 12.8 mt -70.67 -34.86 58.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.011 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -70.12 -32.49 70.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -30.96 71.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.773 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -112.3 97.4 39.36 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.828 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -84.16 31.17 0.51 Allowed 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 123.03 2.487 . . . . 0.0 112.715 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.9 mt -128.28 135.05 63.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.769 0.319 . . . . 0.0 110.989 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 109.81 113.54 3.55 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.616 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -55.16 -23.78 23.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.747 0.308 . . . . 0.0 111.183 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -55.67 -27.98 52.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.152 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -65.93 -44.02 86.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.877 0.37 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 77.1 m -72.01 -31.57 66.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.648 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -73.98 -33.9 64.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.824 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.37 -36.96 71.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.0 tp -72.06 -40.63 68.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.786 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -71.18 -29.58 65.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.098 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -87.41 -29.03 21.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.111 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.3 p -110.59 44.12 1.31 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.136 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.704 HG22 ' H ' ' A' ' 114' ' ' ALA . 12.4 p -97.89 134.79 34.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.128 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.3 m -98.34 26.32 5.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.079 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.704 ' H ' HG22 ' A' ' 112' ' ' VAL . . . 56.43 77.32 0.25 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.123 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -130.78 76.9 0.4 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.531 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.64 -49.57 9.96 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.613 2.209 . . . . 0.0 112.233 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -110.9 -28.26 8.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.158 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -85.03 -31.6 23.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.747 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 62.16 100.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.932 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 75.5 m -126.9 157.13 40.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.609 HG11 HD21 ' A' ' 92' ' ' LEU . 15.9 t -141.78 154.97 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.968 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 39.9 t -111.83 123.89 51.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.631 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 14.8 m -109.94 131.66 54.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.819 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.09 0 CA-C-O 118.397 -1.224 . . . . 0.0 112.531 179.893 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.492 HD23 ' N ' ' A' ' 72' ' ' SER . 0.6 OUTLIER . . . . . 0 N--CA 1.458 -0.043 0 CA-C-O 120.785 0.326 . . . . 0.0 110.934 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.492 ' N ' HD23 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -91.4 125.02 36.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.714 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.404 ' HB2' ' HB2' ' A' ' 83' ' ' CYS . 41.2 t -126.06 149.98 48.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.231 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.6 123.33 40.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.614 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.543 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 1.5 p -65.32 166.26 14.4 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.708 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.543 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 9.6 Cg_endo -50.8 -25.35 15.25 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.426 2.084 . . . . 0.0 111.889 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.45 10.07 39.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.214 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 66.18 39.67 4.15 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.953 0.406 . . . . 0.0 111.207 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.22 136.16 19.49 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.246 179.545 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -58.19 120.94 9.15 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.46 2.107 . . . . 0.0 112.484 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -142.99 -159.4 7.93 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.199 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.88 152.1 51.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.861 0.362 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.404 ' HB2' ' HB2' ' A' ' 73' ' ' CYS . 50.1 t -109.8 126.06 53.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.775 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 28.7 m -139.92 157.02 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.071 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -54.84 -178.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.16 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.2 pp -86.89 5.64 3.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.563 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.3 pttt -124.78 23.5 7.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.991 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.95 -40.35 1.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.3 t -69.77 134.17 48.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 68.1 p -65.81 -32.27 73.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.079 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.3 m170 -58.83 -33.79 70.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.003 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.54 ' HA ' HD12 ' A' ' 95' ' ' ILE . 3.9 mm? -69.07 -40.32 78.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.15 -33.99 77.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.121 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -67.04 -38.71 86.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.985 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.738 HG23 ' HB3' ' A' ' 99' ' ' PRO . 12.8 mt -68.78 -36.7 75.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.017 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.21 -31.5 68.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.92 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -82.38 -39.62 22.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.054 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -178.61 100.02 0.21 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.004 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.738 ' HB3' HG23 ' A' ' 95' ' ' ILE . 96.1 Cg_endo -80.58 109.88 2.33 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 122.281 1.987 . . . . 0.0 112.347 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.1 pt -101.62 136.72 32.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.053 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 66.58 114.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.509 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -59.53 -29.13 67.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.776 0.322 . . . . 0.0 110.942 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.8 p30 -58.75 -30.89 67.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.982 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -72.71 -36.06 67.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.1 m -69.99 -33.28 71.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.799 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.7 m -71.42 -34.09 70.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.663 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -66.41 -37.93 86.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.72 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.592 ' HG ' HD11 ' A' ' 95' ' ' ILE . 3.3 mm? -63.42 -45.87 89.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.582 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -31.48 72.36 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.729 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.5 -26.99 64.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.798 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 48.5 m -96.23 35.73 1.42 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.961 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 11.1 p -70.95 127.26 32.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.032 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.56 63.94 0.28 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.999 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.92 -175.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.075 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 76.61 -136.72 19.71 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.469 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -50.51 134.35 39.21 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.45 2.1 . . . . 0.0 112.367 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 61.26 169.91 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -140.07 179.87 6.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 26.8 m120 59.62 30.5 20.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.054 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.4 m -118.85 164.34 15.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.478 HG12 ' N ' ' A' ' 122' ' ' CYS . 17.6 t -133.85 160.45 41.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.994 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . 0.478 ' N ' HG12 ' A' ' 121' ' ' VAL . 86.1 m -111.7 123.84 51.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.813 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 15.7 m -116.0 119.01 34.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.09 0 CA-C-O 118.396 -1.224 . . . . 0.0 112.508 -179.945 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.691 0.282 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.49 128.97 45.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.713 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 15.2 p -133.73 166.96 21.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.23 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.2 mp -98.05 122.96 41.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.734 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.516 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 1.1 p -66.36 166.63 16.18 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.689 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.516 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 8.5 Cg_endo -50.32 -25.7 14.2 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.563 2.176 . . . . 0.0 111.987 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.76 7.14 45.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.142 179.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 65.62 39.66 4.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.97 0.414 . . . . 0.0 111.117 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -108.71 135.71 20.05 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.328 179.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -52.85 123.33 12.8 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.277 1.985 . . . . 0.0 112.302 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -148.14 -155.74 6.77 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.205 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.2 pttm -134.07 149.12 51.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.891 0.377 . . . . 0.0 111.025 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 52.0 t -109.79 125.98 53.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.608 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 30.1 m -141.53 157.15 21.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.883 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -52.91 -178.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.704 ' HA ' HD22 ' A' ' 92' ' ' LEU . 1.8 pp -87.32 5.07 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.511 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.7 ptmt -127.83 23.02 6.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.031 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -121.96 -38.11 2.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.828 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.5 t -75.76 113.21 12.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.723 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.7 m -57.13 -39.43 75.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.078 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.8 -37.16 83.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.706 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.704 HD22 ' HA ' ' A' ' 86' ' ' ILE . 1.3 tp -65.5 -39.49 91.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.89 -34.01 77.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -66.09 -43.52 87.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.637 HG23 ' OE1' ' A' ' 104' ' ' GLU . 37.3 mm -65.73 -36.44 77.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.069 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.11 -31.06 68.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.953 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -85.96 -32.34 21.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -124.12 72.41 55.56 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.078 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -77.16 108.55 2.65 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.629 2.219 . . . . 0.0 112.398 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 9.7 pt -126.62 119.08 52.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.265 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 74.66 126.64 0.16 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.59 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.46 -24.02 42.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.79 0.329 . . . . 0.0 111.214 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -57.42 -30.54 65.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.104 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.637 ' OE1' HG23 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -73.59 -31.79 63.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.962 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.414 ' N ' ' HG3' ' A' ' 104' ' ' GLU . 2.3 m -72.25 -37.13 69.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.987 0.423 . . . . 0.0 110.865 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 24.5 m -70.25 -34.0 72.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.655 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -67.23 -34.97 78.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.829 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.4 tt -69.97 -38.54 76.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.759 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.82 -31.97 68.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.785 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -69.87 -29.18 66.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.986 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 11.5 p -96.92 37.32 1.31 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.3 p -87.27 128.56 39.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.201 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.78 64.05 0.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.105 0.479 . . . . 0.0 110.856 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -74.37 99.49 3.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.078 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 168.31 -75.75 0.12 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.529 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -70.01 -27.97 24.64 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.537 2.158 . . . . 0.0 112.228 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -162.41 167.88 22.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -81.6 -64.74 1.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -74.52 74.8 1.96 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.83 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 58.8 m -143.93 147.61 34.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.534 ' CG2' HG22 ' A' ' 86' ' ' ILE . 10.0 t -131.49 162.06 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . 0.483 ' N ' HG12 ' A' ' 121' ' ' VAL . 1.3 m -111.8 123.89 51.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.884 0.374 . . . . 0.0 111.156 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 85.4 m -122.21 118.87 29.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.594 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.091 0 CA-C-O 118.372 -1.238 . . . . 0.0 112.54 -179.875 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.4 tp . . . . . 0 CA--C 1.526 0.055 0 CA-C-O 120.832 0.348 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.87 127.74 32.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.718 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.431 ' HB2' ' HB2' ' A' ' 83' ' ' CYS . 43.4 t -124.87 156.11 38.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.184 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.4 mp -105.53 126.15 51.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.928 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.541 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 35.8 p -61.98 168.55 3.57 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.523 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.541 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 71.9 Cg_exo -51.62 -24.8 18.21 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.302 2.002 . . . . 0.0 112.144 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.12 9.69 42.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 70.45 36.38 1.74 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.878 0.37 . . . . 0.0 110.957 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.84 124.14 57.49 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.638 179.682 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.11 125.48 17.46 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.412 2.075 . . . . 0.0 112.315 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -151.52 -156.82 7.6 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.528 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -131.55 152.21 50.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.816 0.341 . . . . 0.0 110.871 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.431 ' HB2' ' HB2' ' A' ' 73' ' ' CYS . 43.3 t -109.9 129.52 55.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.995 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 21.7 m -142.03 157.08 20.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.043 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -55.4 -174.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.667 HD12 HG21 ' A' ' 121' ' ' VAL . 1.5 tp -97.39 27.61 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.152 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.2 mtpp -144.64 29.38 1.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -134.57 -52.25 0.81 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.969 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 2.7 t -58.14 126.62 28.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.926 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -64.9 -31.6 72.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.937 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 -59.72 -33.42 71.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.632 HD21 HD21 ' A' ' 108' ' ' LEU . 0.1 OUTLIER -69.83 -39.65 76.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.32 -32.12 73.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.175 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.61 -42.95 70.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.186 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.496 HG22 ' O ' ' A' ' 92' ' ' LEU . 0.6 OUTLIER -69.62 -34.85 63.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.717 179.885 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -68.97 -30.94 69.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.709 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.51 -31.7 67.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.842 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -165.99 81.43 1.08 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -73.97 137.53 24.37 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.588 2.192 . . . . 0.0 112.343 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.66 ' N ' HD13 ' A' ' 100' ' ' ILE . 0.2 OUTLIER -151.1 169.51 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.065 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 64.46 112.82 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.448 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -60.27 -31.0 69.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.798 0.332 . . . . 0.0 111.003 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -72.11 -30.95 65.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.012 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -72.0 -40.75 68.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.017 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 9.8 t -71.0 -33.16 70.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 57.3 m -73.69 -34.99 65.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -69.83 -34.02 73.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.691 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.632 HD21 HD21 ' A' ' 92' ' ' LEU . 2.3 tt -66.21 -40.97 90.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.533 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -71.0 -30.12 66.26 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.606 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -72.63 -22.03 61.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.926 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.54 32.32 1.41 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.012 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.631 HG22 ' H ' ' A' ' 114' ' ' ALA . 12.9 p -77.27 144.86 10.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-O 120.989 0.423 . . . . 0.0 110.708 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.4 15.86 8.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.794 -179.583 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.631 ' H ' HG22 ' A' ' 112' ' ' VAL . . . 35.3 36.15 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.934 179.699 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.417 ' HA2' ' HD3' ' A' ' 116' ' ' PRO . . . -106.27 146.93 16.13 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.85 -179.492 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.417 ' HD3' ' HA2' ' A' ' 115' ' ' GLY . 24.3 Cg_exo -63.18 -148.65 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.663 2.242 . . . . 0.0 112.1 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 79.01 -68.95 0.13 Allowed 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.074 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -166.08 -52.39 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.885 0.374 . . . . 0.0 110.625 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 15.8 t30 179.73 106.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.2 p -96.68 135.47 38.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.47 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.667 HG21 HD12 ' A' ' 86' ' ' ILE . 15.2 t -119.99 162.15 18.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.244 -179.499 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . 0.501 ' N ' HG12 ' A' ' 121' ' ' VAL . 95.6 m -111.51 123.91 51.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.616 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 61.7 m -122.38 118.86 29.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.999 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 CA-C-O 118.408 -1.218 . . . . 0.0 112.516 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.526 0.022 0 CA-C-O 120.764 0.316 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.85 127.4 34.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.822 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.402 ' HB2' ' HB2' ' A' ' 83' ' ' CYS . 42.9 t -124.97 155.54 39.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.032 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mp -100.81 122.94 44.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.783 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.564 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 70.4 p -65.54 168.17 8.98 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.637 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.564 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 74.4 Cg_exo -51.5 -27.91 26.48 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.319 2.012 . . . . 0.0 112.064 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.52 7.33 43.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.091 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 16.9 m120 67.32 39.78 2.9 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.842 0.353 . . . . 0.0 111.177 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.1 mmtm -104.63 132.75 20.64 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.29 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -50.46 126.39 17.67 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.392 2.061 . . . . 0.0 112.521 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -147.08 -159.28 8.23 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.285 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.02 152.05 51.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.766 0.317 . . . . 0.0 111.003 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.402 ' HB2' ' HB2' ' A' ' 73' ' ' CYS . 52.0 t -111.8 129.1 56.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.984 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 5.5 m -141.92 156.96 20.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.972 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -55.05 177.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.512 HD12 HG21 ' A' ' 121' ' ' VAL . 0.7 OUTLIER -91.68 48.26 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.111 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -170.1 34.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.471 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.2 tttm -143.65 -45.7 0.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 18.8 t -59.57 118.37 5.99 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 29.2 p -58.9 -32.88 69.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.017 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 7.2 m80 -63.95 -37.21 86.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.424 HD11 HD11 ' A' ' 108' ' ' LEU . 0.1 OUTLIER -68.24 -37.94 81.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.756 179.869 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.2 -33.47 75.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.111 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -70.6 -40.01 73.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.402 HG22 ' CG ' ' A' ' 104' ' ' GLU . 23.3 mt -67.07 -34.97 73.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.881 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -64.55 -36.61 84.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.671 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.27 -35.7 40.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.766 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.422 ' CB ' ' HD2' ' A' ' 99' ' ' PRO . 1.1 m-20 -62.93 166.76 7.16 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.737 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.422 ' HD2' ' CB ' ' A' ' 98' ' ' ASP . 9.8 Cg_endo -51.1 120.0 6.15 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.566 2.177 . . . . 0.0 112.087 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.4 tt -83.15 142.62 13.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 CA-C-O 121.185 0.517 . . . . 0.0 111.029 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -170.04 -176.76 39.89 Favored Glycine 0 N--CA 1.451 -0.317 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.408 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -59.83 -30.3 68.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.818 0.342 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -69.32 -31.78 70.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.957 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.402 ' CG ' HG22 ' A' ' 95' ' ' ILE . 0.6 OUTLIER -66.84 -37.02 83.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 18.6 m -72.89 -33.98 66.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.707 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 19.3 m -71.52 -34.06 69.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.759 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -67.55 -35.25 78.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.432 HD21 HD11 ' A' ' 86' ' ' ILE . 1.5 mp -71.91 -36.86 70.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.867 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.661 ' O ' HG13 ' A' ' 112' ' ' VAL . 2.9 tptp -69.85 -31.51 69.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.919 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -72.62 -31.02 64.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 50.6 m -102.59 41.1 1.27 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.661 HG13 ' O ' ' A' ' 109' ' ' LYS . 35.4 m -83.3 143.19 12.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.066 0.46 . . . . 0.0 111.001 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.1 24.61 5.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.189 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 55.07 62.39 2.52 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.977 0.417 . . . . 0.0 111.349 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -165.07 82.09 0.11 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.522 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -79.98 2.35 8.5 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.679 2.253 . . . . 0.0 112.808 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -93.79 -32.63 13.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.829 0.347 . . . . 0.0 111.151 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -111.63 -15.08 13.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.327 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 66.49 77.83 0.27 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.933 0.397 . . . . 0.0 110.831 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 28.0 t -107.26 170.66 7.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.847 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.512 HG21 HD12 ' A' ' 86' ' ' ILE . 21.6 t -145.47 157.5 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.075 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . 0.461 ' N ' HG12 ' A' ' 121' ' ' VAL . 49.1 m -112.03 125.19 53.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.81 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 55.6 m -123.57 124.95 43.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.347 -1.252 . . . . 0.0 112.509 -179.961 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.0 tp . . . . . 0 C--O 1.228 -0.037 0 CA-C-O 120.674 0.273 . . . . 0.0 110.617 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.28 121.7 36.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.033 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 15.1 p -125.02 166.85 15.62 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.017 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.41 HD23 ' C ' ' A' ' 78' ' ' ASN . 0.4 OUTLIER -95.5 122.92 38.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.969 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.433 ' CB ' ' HD2' ' A' ' 76' ' ' PRO . 0.5 OUTLIER -66.14 167.88 10.97 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.741 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.433 ' HD2' ' CB ' ' A' ' 75' ' ' THR . 10.0 Cg_endo -51.58 -25.3 19.32 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.469 2.112 . . . . 0.0 111.989 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.01 8.59 43.29 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.071 179.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.41 ' C ' HD23 ' A' ' 74' ' ' LEU . 3.6 m120 68.33 38.81 2.41 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.823 0.344 . . . . 0.0 111.048 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.69 133.58 20.2 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.492 179.595 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -56.84 120.02 7.65 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.354 2.036 . . . . 0.0 112.243 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -143.3 -150.8 5.36 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.361 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.05 147.39 50.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.79 0.329 . . . . 0.0 110.97 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 40.6 t -109.84 125.96 53.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.738 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 4.7 m -137.81 157.27 32.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.868 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -52.31 -178.09 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.117 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.88 HD12 HG21 ' A' ' 121' ' ' VAL . 2.1 tp -93.84 23.39 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.417 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -145.01 33.88 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.947 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -141.15 -49.48 0.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.174 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 36.9 t -54.17 129.22 34.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.206 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.7 t -69.0 -35.72 77.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.842 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -60.57 -38.37 84.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.654 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.42 -40.22 96.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.78 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.06 -34.06 77.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.936 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -64.97 -41.95 94.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.826 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 30.7 mm -69.47 -37.38 74.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.884 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -70.03 -32.81 71.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.808 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -69.62 -31.66 69.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.951 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -88.79 171.15 9.6 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -51.57 178.1 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.626 2.217 . . . . 0.0 112.29 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.9 mt -122.5 150.5 26.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.049 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -168.38 169.05 41.34 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.527 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -60.87 -34.3 74.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.834 0.35 . . . . 0.0 110.87 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.66 -33.02 74.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.789 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.71 -31.93 65.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.782 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.65 -34.86 74.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.4 m -71.71 -37.54 70.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.805 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -68.21 -33.98 75.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.38 -43.52 73.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.79 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.25 -26.17 68.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -83.82 -27.1 29.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.08 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.59 46.37 1.63 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.092 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 9.3 p -125.77 149.75 30.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.187 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.1 m -90.24 51.01 1.94 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.697 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -70.73 101.99 2.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -169.19 -77.98 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.51 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -72.27 -28.67 15.05 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.583 2.188 . . . . 0.0 112.299 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -141.24 -176.81 4.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.935 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.31 -24.66 21.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -92.65 -138.66 0.19 Allowed 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.477 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 66.48 142.08 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.853 0.359 . . . . 0.0 110.89 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.88 HG21 HD12 ' A' ' 86' ' ' ILE . 12.3 t -139.36 159.24 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.198 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . 0.452 ' N ' HG12 ' A' ' 121' ' ' VAL . 1.3 m -111.89 123.96 51.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.769 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 86.5 m -132.33 119.0 20.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.815 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.174 0 CA-C-O 118.362 -1.243 . . . . 0.0 112.538 -179.975 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.55 HD23 ' N ' ' A' ' 72' ' ' SER . 2.2 tt . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.856 0.36 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.55 ' N ' HD23 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -102.27 121.97 43.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.796 179.883 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 27.8 p -124.84 153.93 41.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.973 0.416 . . . . 0.0 111.207 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.7 mp -93.85 122.83 36.75 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.753 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.462 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 1.8 p -67.08 166.26 21.3 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.755 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.462 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 74.5 Cg_exo -49.61 -36.95 42.22 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.374 2.049 . . . . 0.0 112.077 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.442 ' O ' ' CB ' ' A' ' 78' ' ' ASN . 14.8 p30 -74.53 -21.02 59.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.716 179.411 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.442 ' CB ' ' O ' ' A' ' 77' ' ' ASP . 33.9 m-80 89.0 45.77 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.948 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.6 tttm -114.11 135.94 22.16 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.834 179.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_exo -50.54 123.86 12.2 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.132 1.888 . . . . 0.0 112.606 -179.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -142.06 -157.79 7.29 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.126 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 53.6 pttt -134.16 147.26 50.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.881 0.372 . . . . 0.0 111.039 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.4 t -109.71 125.53 52.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.548 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.465 HG23 ' HB2' ' A' ' 89' ' ' CYS . 21.4 m -142.15 157.13 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.246 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -56.35 -176.0 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.181 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.631 HG22 ' CG2' ' A' ' 121' ' ' VAL . 18.2 pt -88.06 3.81 5.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.503 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -123.8 26.95 7.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.969 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 25.5 tptp -134.51 -42.15 0.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.799 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.465 ' HB2' HG23 ' A' ' 84' ' ' VAL . 4.5 t -69.13 116.73 9.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.949 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 16.4 m -59.29 -29.99 67.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.971 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.66 -38.8 78.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.78 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -62.09 -41.24 97.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.736 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.99 -34.53 78.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.893 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -67.36 -43.31 81.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.907 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.409 HG22 HD11 ' A' ' 100' ' ' ILE . 33.9 mm -66.3 -34.94 73.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.827 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.28 -31.36 72.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.733 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -77.12 -30.84 55.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.72 119.99 72.48 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.82 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.75 106.41 0.17 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.549 2.166 . . . . 0.0 112.322 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.409 HD11 HG22 ' A' ' 95' ' ' ILE . 2.4 pp -153.16 158.79 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.183 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -132.9 -81.72 0.19 Allowed Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.554 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -58.91 -32.08 69.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.891 0.377 . . . . 0.0 110.976 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -60.13 -30.04 69.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.964 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -72.47 -34.36 67.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 11.3 m -69.43 -37.94 77.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.61 -34.44 67.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.761 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -71.96 -33.97 68.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.733 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.02 -38.08 75.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm -71.12 -29.76 65.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.964 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 12.2 m-20 -88.71 -30.35 19.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.082 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 64.0 m -101.22 39.0 1.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.082 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.9 p -105.75 147.96 10.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.016 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -96.25 33.51 1.75 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.993 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 54.55 40.82 32.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.223 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 59.98 74.33 0.38 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.421 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.33 -43.47 3.0 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.461 2.107 . . . . 0.0 112.334 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -140.91 -69.17 0.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -149.94 -50.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.829 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -143.59 107.88 4.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.806 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.1 m -152.34 172.76 15.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.017 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.631 ' CG2' HG22 ' A' ' 86' ' ' ILE . 12.3 t -142.79 157.74 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . 0.419 ' N ' HG12 ' A' ' 121' ' ' VAL . 40.5 t -111.64 124.81 53.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.694 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 13.0 m -121.36 123.79 43.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.874 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.371 -1.238 . . . . 0.0 112.473 179.956 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.55 HD23 ' N ' ' A' ' 72' ' ' SER . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.791 0.329 . . . . 0.0 111.035 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.55 ' N ' HD23 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -100.56 127.13 47.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.787 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 24.1 p -125.21 161.93 25.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.874 0.369 . . . . 0.0 111.132 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.2 mp -102.96 122.92 45.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.856 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.537 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 2.3 p -65.06 165.39 16.52 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.685 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.537 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 9.6 Cg_endo -50.8 -25.02 14.49 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.562 2.175 . . . . 0.0 112.111 179.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.52 9.2 43.05 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.183 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.9 m120 67.63 40.67 2.47 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.839 0.352 . . . . 0.0 111.106 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.15 129.19 25.6 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.368 179.448 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.14 123.71 13.19 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.199 1.933 . . . . 0.0 112.437 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -145.46 -159.19 8.01 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.385 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 27.3 mmtt -133.72 146.56 50.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.909 0.385 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 53.6 t -109.87 126.9 54.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.825 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.3 m -141.24 157.09 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.981 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -50.66 176.43 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.195 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.606 HG22 HG23 ' A' ' 121' ' ' VAL . 1.0 OUTLIER -83.22 0.68 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.569 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -123.14 22.55 9.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.966 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.84 -38.45 2.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.756 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 2.9 t -72.9 115.12 11.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.715 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.27 -33.57 67.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.004 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.24 -38.19 82.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.946 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.506 ' O ' HG22 ' A' ' 95' ' ' ILE . 0.4 OUTLIER -69.72 -38.09 76.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.71 179.776 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.25 -32.78 74.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.224 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.17 -43.57 73.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.047 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.506 HG22 ' O ' ' A' ' 92' ' ' LEU . 0.7 OUTLIER -69.75 -34.73 62.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.682 179.84 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -69.08 -32.85 72.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.716 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -67.12 -31.73 72.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.739 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.405 ' CB ' ' HD2' ' A' ' 99' ' ' PRO . 2.4 m-20 -102.84 166.01 12.67 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.739 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.405 ' HD2' ' CB ' ' A' ' 98' ' ' ASP . 9.4 Cg_endo -52.36 149.57 22.63 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.573 2.182 . . . . 0.0 112.11 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.8 mp -103.92 142.27 17.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.33 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -134.39 -167.3 11.45 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.388 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -67.07 -31.69 72.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.732 0.301 . . . . 0.0 110.971 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -64.31 -29.94 71.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -71.96 -37.64 69.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.7 m -70.66 -38.52 73.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.827 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 64.3 m -69.25 -33.92 74.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.758 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.15 -41.72 73.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.72 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.597 ' O ' HD13 ' A' ' 108' ' ' LEU . 0.2 OUTLIER -64.21 -36.47 84.19 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.841 179.872 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.453 ' O ' HG12 ' A' ' 112' ' ' VAL . 20.9 mtpt -63.54 -39.2 93.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.284 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.412 ' OD1' ' N ' ' A' ' 111' ' ' SER . 22.1 p30 -88.19 -27.49 21.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.208 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.412 ' N ' ' OD1' ' A' ' 110' ' ' ASN . 0.2 OUTLIER -97.01 32.15 2.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.007 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.453 HG12 ' O ' ' A' ' 109' ' ' LYS . 12.2 p -99.14 143.36 13.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.937 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 98.0 m -96.62 35.39 1.51 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.956 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 57.12 -170.85 0.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.174 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 86.21 108.98 0.78 Allowed Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.451 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -50.65 -61.49 0.55 Allowed 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.524 2.149 . . . . 0.0 112.316 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.8 pm0 -118.85 117.36 28.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.824 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.3 t0 178.91 -35.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 68.82 86.58 0.13 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -141.99 163.81 31.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.778 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.606 HG23 HG22 ' A' ' 86' ' ' ILE . 20.6 t -144.94 158.4 14.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.044 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . 0.471 ' N ' HG12 ' A' ' 121' ' ' VAL . 50.3 t -111.74 123.75 50.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.785 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 13.2 m -117.91 119.04 33.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.8 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.532 179.926 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.5 tp . . . . . 0 N--CA 1.458 -0.042 0 CA-C-O 120.773 0.32 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.73 131.56 37.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.859 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.456 ' HB2' ' HB2' ' A' ' 83' ' ' CYS . 13.4 t -124.95 158.99 32.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.237 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.5 mp -105.55 125.57 51.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.796 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.536 ' HB ' ' HD2' ' A' ' 76' ' ' PRO . 30.6 p -60.95 168.85 2.35 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.623 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.536 ' HD2' ' HB ' ' A' ' 75' ' ' THR . 64.2 Cg_exo -52.04 -24.73 20.4 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.247 1.965 . . . . 0.0 112.029 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -98.02 9.27 43.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.181 179.619 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 71.36 35.83 1.45 Allowed 'General case' 0 C--N 1.334 -0.097 0 CA-C-O 121.002 0.43 . . . . 0.0 110.931 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -96.79 142.5 24.63 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.451 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_endo -58.16 121.99 10.94 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.376 2.051 . . . . 0.0 112.266 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -141.16 -158.8 7.67 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.388 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.04 152.18 51.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.885 0.374 . . . . 0.0 111.116 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.456 ' HB2' ' HB2' ' A' ' 73' ' ' CYS . 41.0 t -110.31 125.65 53.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.814 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 29.1 m -142.39 157.11 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.961 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.02 -170.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.78 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.512 HG23 ' O ' ' A' ' 119' ' ' ASN . 18.2 pt -87.37 6.42 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.58 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -116.38 25.73 10.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.4 tttp -141.82 -43.58 0.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.102 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -54.84 125.43 20.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.012 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 27.0 p -59.57 -30.22 68.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -57.54 -33.19 67.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.929 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.7 ' HA ' HD12 ' A' ' 95' ' ' ILE . 0.4 OUTLIER -69.78 -39.6 76.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.785 179.879 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.1 -34.36 78.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.128 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -67.44 -38.46 84.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.7 HD12 ' HA ' ' A' ' 92' ' ' LEU . 9.7 mt -67.53 -34.99 71.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.0 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -35.56 79.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.95 -31.86 21.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -156.92 88.47 2.67 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.948 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -81.71 55.9 5.7 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 122.442 2.095 . . . . 0.0 112.533 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.7 tt -112.68 145.85 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.972 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 106.6 103.09 2.85 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.502 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.536 ' O ' HG22 ' A' ' 105' ' ' THR . 0.0 OUTLIER -64.34 -27.57 69.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.742 0.306 . . . . 0.0 110.994 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -71.94 -28.9 63.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.983 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -69.58 -39.17 77.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.031 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.536 HG22 ' O ' ' A' ' 102' ' ' GLU . 8.8 t -71.42 -34.31 70.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.79 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 8.9 m -71.59 -33.83 69.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.723 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.435 ' CE2' ' HG2' ' A' ' 76' ' ' PRO . 1.2 t80 -69.5 -34.08 73.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.1 tp -68.34 -38.64 81.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.93 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.567 ' O ' HG23 ' A' ' 112' ' ' VAL . 0.1 OUTLIER -69.5 -30.32 68.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.907 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -83.28 -25.19 31.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.964 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 61.3 p -102.55 40.49 1.35 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.952 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 109' ' ' LYS . 19.6 t -91.32 158.94 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.941 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.48 ' N ' HG12 ' A' ' 112' ' ' VAL . 0.1 OUTLIER -98.79 27.13 5.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.141 -179.827 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -179.37 153.75 0.6 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.146 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -83.12 -64.4 1.66 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.542 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.95 -45.06 0.5 Allowed 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.65 2.233 . . . . 0.0 112.391 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.63 166.39 15.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -147.73 29.38 0.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.084 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.512 ' O ' HG23 ' A' ' 86' ' ' ILE . 1.2 t-20 -107.26 -24.98 11.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.906 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 76.1 p -102.36 125.52 49.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.887 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.497 HG12 ' N ' ' A' ' 122' ' ' CYS . 15.8 t -119.83 161.86 18.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.11 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . 0.497 ' N ' HG12 ' A' ' 121' ' ' VAL . 92.4 m -111.62 123.89 51.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.83 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.8 m -123.97 119.01 28.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.765 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.477 -1.179 . . . . 0.0 112.56 -179.978 . . . . . . . . 0 0 . 1 stop_ save_