data_1x5i_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 1x5i _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 ' 23' ' ' ASP . . . . . . . . . . . . . 23.0 t0 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.822 0.344 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.487 ' CG ' ' OD1' ' A' ' 103' ' ' ASN . 19.2 tt0 -120.82 18.58 11.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.9 t -93.17 -10.75 34.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.171 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.415 ' C ' HG12 ' A' ' 104' ' ' VAL . 0.4 OUTLIER -137.16 165.7 25.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.2 m -84.2 145.82 46.73 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.574 0.702 . . . . 0.0 111.165 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 103.39 1.15 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.729 2.286 . . . . 0.0 112.333 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -56.97 170.95 0.39 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.475 ' CG2' ' HD2' ' A' ' 31' ' ' PRO . 4.6 p -38.24 138.81 0.69 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.657 0.741 . . . . 0.0 111.125 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 30' ' ' VAL . 53.9 Cg_endo -69.74 169.82 18.0 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.652 2.235 . . . . 0.0 112.373 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 54.5 p -49.42 -46.81 48.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.838 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -174.94 -176.28 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.4 tp -153.61 117.88 4.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 -108.34 143.7 36.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.1 m -133.46 138.46 51.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.077 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.6 ttt85 -120.69 107.84 37.93 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.606 0.717 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 129.83 18.31 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.7 2.267 . . . . 0.0 112.389 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.468 ' O ' ' C ' ' A' ' 40' ' ' VAL . 2.9 mp -122.44 154.29 37.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.468 ' C ' ' O ' ' A' ' 39' ' ' LEU . 60.7 t -31.88 -72.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.068 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 67.3 p -117.22 24.37 11.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.124 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.476 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 15.5 m -148.19 -179.26 6.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.828 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.476 ' CG1' ' O ' ' A' ' 42' ' ' SER . 44.4 mt -159.72 109.54 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.153 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 72.5 t -82.71 97.72 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.162 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 64.4 t -87.57 101.87 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.448 ' HA ' ' CB ' ' A' ' 82' ' ' TYR . 53.0 p -106.14 125.23 50.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.545 ' CZ3' ' HA ' ' A' ' 82' ' ' TYR . 49.1 p90 -121.6 -179.68 4.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.953 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.8 p -144.04 144.18 25.41 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.601 0.715 . . . . 0.0 111.12 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 164.61 33.88 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.641 2.227 . . . . 0.0 112.346 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 51' ' ' GLU . 53.6 Cg_endo -69.75 133.51 25.76 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.735 2.29 . . . . 0.0 112.31 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 50' ' ' PRO . 5.3 mp0 -34.85 -45.75 0.27 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -71.09 109.69 5.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -95.34 37.4 1.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -115.67 -26.58 7.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 25.0 mt -73.09 128.11 35.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.148 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 63.0 t -67.98 110.05 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.456 HG13 ' CZ ' ' A' ' 60' ' ' TYR . 90.9 t -108.64 113.19 43.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.131 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -77.04 -47.93 19.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -173.76 176.35 46.31 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.51 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.456 ' CZ ' HG13 ' A' ' 57' ' ' VAL . 12.2 m-85 -124.64 170.65 10.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.879 0.371 . . . . 0.0 110.923 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -122.57 137.59 54.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.053 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.524 HD12 ' CZ3' ' A' ' 47' ' ' TRP . 23.8 mt -117.94 107.81 22.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -102.48 132.85 11.15 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 47.7 p90 -138.39 158.52 44.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.916 0.389 . . . . 0.0 110.933 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 149.74 142.5 3.59 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.515 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.519 HD12 ' CZ ' ' A' ' 94' ' ' TYR . 4.3 mp -68.16 117.93 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.867 0.365 . . . . 0.0 111.142 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 100.63 -43.24 1.78 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 t -159.29 141.1 9.77 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.664 0.745 . . . . 0.0 110.847 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -23.28 31.11 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.689 2.259 . . . . 0.0 112.341 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -52.97 -28.61 24.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -41.04 -64.56 0.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.057 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -132.67 152.1 51.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 89.0 m -136.78 141.46 42.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.141 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 72.7 mt -125.69 126.53 70.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.9 mmtp -107.98 137.88 45.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 24.6 m -137.77 -174.98 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.11 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -93.93 154.57 17.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.467 ' CD1' ' N ' ' A' ' 79' ' ' LYS . 20.2 p90 -47.79 -53.31 15.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.467 ' N ' ' CD1' ' A' ' 78' ' ' TYR . 4.7 mtpm? -37.55 -47.68 0.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.428 ' OE1' ' N ' ' A' ' 80' ' ' GLN . 2.4 mp0 -53.02 127.19 23.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -100.01 -33.7 10.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.545 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 39.6 p90 -148.1 157.8 43.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.968 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -126.8 128.34 46.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 96.9 m -97.37 93.58 6.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.144 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 32.2 mt -73.8 104.75 2.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.173 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.456 ' C ' ' CG ' ' A' ' 87' ' ' ASN . 47.5 mt-10 -92.86 -176.02 4.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.456 ' CG ' ' C ' ' A' ' 86' ' ' GLU . 0.5 OUTLIER 48.5 52.68 13.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.449 ' CD1' HG13 ' A' ' 43' ' ' ILE . 57.7 mt -109.25 -176.17 2.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -108.41 118.65 51.69 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.615 0.722 . . . . 0.0 110.863 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 165.23 31.63 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.685 2.256 . . . . 0.0 112.338 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.6 m 53.32 49.62 19.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.3 m -153.98 133.02 12.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.864 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -79.3 112.23 16.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.834 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.519 ' CZ ' HD12 ' A' ' 66' ' ' ILE . 16.9 m-85 -102.09 125.57 48.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 87.2 t -89.01 103.39 13.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.139 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.445 HD13 ' N ' ' A' ' 96' ' ' ILE . 4.5 mp -95.72 133.13 37.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.411 ' N ' HG23 ' A' ' 96' ' ' ILE . 37.3 p -123.63 162.79 22.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.42 HD21 ' CB ' ' A' ' 47' ' ' TRP . 11.1 tp -148.54 129.8 14.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -138.02 136.31 36.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.47 128.49 36.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 43.9 p90 -132.7 144.96 50.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 40.7 p-10 -141.63 -175.8 4.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.487 ' OD1' ' CG ' ' A' ' 24' ' ' GLU . 5.7 p-10 -53.54 -31.92 48.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.415 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 99.0 t -69.95 -44.62 78.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.162 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 164.23 -170.51 39.47 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -97.45 156.69 16.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.952 0.406 . . . . 0.0 110.834 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -105.8 -150.73 19.15 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.534 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.44 HD11 ' N ' ' A' ' 108' ' ' ILE . 0.0 OUTLIER -101.14 125.43 38.08 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.653 0.74 . . . . 0.0 111.119 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 161.34 46.32 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.671 2.248 . . . . 0.0 112.401 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.433 ' CD1' ' HG2' ' A' ' 31' ' ' PRO . 40.9 mt -110.05 163.78 13.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.915 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -122.78 124.49 43.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.975 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -133.38 178.34 6.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 25.1 p -141.66 138.43 32.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -149.25 111.05 4.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.053 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 58.1 t -98.68 108.41 22.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 12.3 p -59.23 138.32 57.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -64.04 150.08 92.57 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.581 0.705 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--O 1.232 0.208 0 C-N-CA 122.672 2.248 . . . . 0.0 112.335 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.8 t70 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.763 0.316 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -120.06 30.04 7.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.3 t -105.2 -18.19 14.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.46 ' N ' HG22 ' A' ' 104' ' ' VAL . 24.5 ptt180 -126.83 170.41 12.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.821 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.411 HG11 ' N ' ' A' ' 106' ' ' GLU . 19.1 m -93.21 147.62 34.13 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.611 0.719 . . . . 0.0 111.138 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 102.02 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.664 2.242 . . . . 0.0 112.385 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 30' ' ' VAL . 6.0 mm-40 -53.13 169.59 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 29' ' ' GLU . 7.5 p -37.87 134.66 0.83 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.652 0.739 . . . . 0.0 111.107 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -179.97 3.26 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.689 2.26 . . . . 0.0 112.341 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.42 ' OG ' ' N ' ' A' ' 33' ' ' SER . 3.6 p -51.12 -58.23 6.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.814 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.42 ' N ' ' OG ' ' A' ' 32' ' ' SER . 79.7 p -166.11 -175.0 3.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 tp -153.58 119.84 5.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -105.77 149.82 26.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.0 m -137.88 138.39 44.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.4 ttt180 -124.48 109.25 28.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.661 0.743 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 128.02 15.45 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.668 2.245 . . . . 0.0 112.394 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.491 ' O ' ' C ' ' A' ' 40' ' ' VAL . 4.7 mp -121.37 154.65 36.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.491 ' C ' ' O ' ' A' ' 39' ' ' LEU . 59.3 t -30.21 -72.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 29.6 p -119.47 24.63 10.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.466 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 17.5 p -148.46 -178.4 6.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.82 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.466 ' CG1' ' O ' ' A' ' 42' ' ' SER . 52.7 mt -159.25 108.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.119 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 87.2 t -77.83 95.19 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.101 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.9 t -85.07 101.69 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 41.3 p -103.99 126.77 51.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.465 ' HB2' ' CD2' ' A' ' 98' ' ' LEU . 48.3 p90 -126.36 -175.31 3.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.4 p -145.88 156.83 51.53 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.562 0.696 . . . . 0.0 111.176 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 161.08 47.29 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.668 2.246 . . . . 0.0 112.406 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 142.73 48.69 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.708 2.272 . . . . 0.0 112.345 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -50.48 -47.11 57.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.845 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -83.92 98.06 9.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 54' ' ' ASN . 17.2 mm100 -71.51 -35.44 70.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 53' ' ' GLN . 2.0 m-80 -35.28 -41.5 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 56.2 mt -69.26 131.01 34.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 93.2 t -65.06 143.31 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.128 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.1 t -140.76 113.32 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -82.24 -38.84 23.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -178.14 -169.96 39.68 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.502 ' CD1' ' HA ' ' A' ' 78' ' ' TYR . 17.2 m-85 -134.17 150.92 51.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.872 0.368 . . . . 0.0 110.914 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -111.86 131.2 55.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.077 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.416 HG21 ' N ' ' A' ' 63' ' ' GLY . 18.9 mt -109.56 135.21 49.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.416 ' N ' HG21 ' A' ' 62' ' ' ILE . . . -130.29 137.37 9.47 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -143.2 144.59 32.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.909 0.385 . . . . 0.0 110.92 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 176.67 132.88 1.71 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.52 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 43.5 mt -60.4 105.13 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.83 0.347 . . . . 0.0 111.105 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 106.6 -40.14 2.61 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.487 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.7 t -158.34 141.5 10.83 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.648 0.737 . . . . 0.0 110.877 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 2.34 3.58 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.688 2.259 . . . . 0.0 112.353 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -86.68 41.58 0.96 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -114.35 -49.28 2.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 55.5 mm-40 -141.04 157.88 44.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.6 m -141.51 129.82 22.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 91.4 mt -123.95 108.29 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -97.12 123.67 40.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.922 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 33.4 m -136.22 155.83 35.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.112 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -44.85 153.44 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.502 ' HA ' ' CD1' ' A' ' 60' ' ' TYR . 52.5 p90 -59.54 -48.07 83.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 80' ' ' GLN . 8.6 mtmp? -39.52 -47.12 1.83 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 79' ' ' LYS . 6.4 mm-40 -35.4 112.01 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -78.35 -38.17 42.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.844 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -157.79 162.55 38.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -132.7 141.03 48.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 50.2 m -103.71 94.22 5.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.17 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 59.8 mt -68.47 117.58 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -105.44 179.74 4.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 67.26 44.26 1.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.411 ' CD1' HG13 ' A' ' 43' ' ' ILE . 64.6 mt -118.15 166.5 12.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -111.38 136.13 20.98 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.575 0.702 . . . . 0.0 110.902 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 161.14 47.07 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.404 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 m 62.02 46.51 6.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 42.4 m -152.06 133.55 14.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.805 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.516 ' CE1' HG21 ' A' ' 95' ' ' VAL . 4.4 t-80 -80.0 131.8 35.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.877 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -124.23 120.77 33.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.516 HG21 ' CE1' ' A' ' 93' ' ' HIS . 99.7 t -85.71 109.83 18.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.157 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.445 HG22 ' N ' ' A' ' 97' ' ' THR . 4.2 mp -100.3 135.3 36.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.445 ' N ' HG22 ' A' ' 96' ' ' ILE . 38.5 p -128.95 145.14 51.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.465 ' CD2' ' HB2' ' A' ' 47' ' ' TRP . 11.9 tp -131.67 132.86 44.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.0 ptpp? -136.53 127.26 27.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 107' ' ' GLY . . . -83.03 122.66 28.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.087 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -122.26 168.83 11.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 43.0 p-10 -161.44 -175.13 4.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -52.8 -34.41 53.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.46 HG22 ' N ' ' A' ' 26' ' ' ARG . 99.1 t -65.88 -49.28 78.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 178.07 -129.47 1.43 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.47 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.411 ' N ' HG11 ' A' ' 27' ' ' VAL . 26.6 mt-10 -130.99 158.62 39.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.886 0.374 . . . . 0.0 110.867 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 100' ' ' ALA . . . -102.1 -175.0 27.75 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.523 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 6.1 mm -82.29 127.47 71.11 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.621 0.724 . . . . 0.0 111.116 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 162.66 41.19 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.738 2.292 . . . . 0.0 112.327 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 32.9 mt -110.43 178.85 4.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.965 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -139.15 115.01 10.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -129.05 176.38 7.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 52.8 p -140.97 134.29 29.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -144.2 114.22 7.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.096 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 97.5 t -99.4 96.07 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.087 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 23.0 p -41.54 141.4 0.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.18 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 48.3 mtt-85 -51.11 157.09 1.57 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.594 0.712 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.163 0 C-N-CA 122.688 2.259 . . . . 0.0 112.357 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.838 0.351 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -128.09 32.46 4.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 65.6 p -106.87 -19.86 13.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.142 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -123.44 150.65 43.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.836 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.6 m -77.95 148.36 75.29 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.662 0.744 . . . . 0.0 111.137 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.466 ' HD3' ' ND2' ' A' ' 102' ' ' ASN . 54.2 Cg_endo -69.69 102.84 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.718 2.279 . . . . 0.0 112.31 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -49.23 179.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.477 ' CG2' ' HD2' ' A' ' 31' ' ' PRO . 4.7 p -47.83 138.85 9.51 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.618 0.723 . . . . 0.0 111.134 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 30' ' ' VAL . 53.7 Cg_endo -69.73 167.58 23.98 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.725 2.283 . . . . 0.0 112.316 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -48.75 -50.14 35.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 t -174.07 -176.99 1.24 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.843 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 tp -153.98 110.11 3.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -98.2 141.75 30.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.823 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.4 m -128.16 139.31 52.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.463 ' HG3' ' CD1' ' A' ' 39' ' ' LEU . 15.3 tpp180 -123.72 107.72 31.24 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.652 0.739 . . . . 0.0 110.838 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 127.77 15.02 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.674 2.25 . . . . 0.0 112.358 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.478 ' O ' ' C ' ' A' ' 40' ' ' VAL . 5.0 mp -121.87 154.4 37.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.478 ' C ' ' O ' ' A' ' 39' ' ' LEU . 94.9 t -31.18 -71.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 43.9 p -119.12 23.68 11.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.104 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.5 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 1.4 t -147.47 -177.85 5.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.871 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.5 ' CG1' ' O ' ' A' ' 42' ' ' SER . 23.1 mt -160.76 105.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.449 ' CG2' HD11 ' A' ' 39' ' ' LEU . 2.6 t -77.62 97.92 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 72.0 t -86.64 100.09 9.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.11 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 85.3 p -105.3 124.55 49.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.523 ' CZ3' HD11 ' A' ' 62' ' ' ILE . 45.2 p90 -125.43 -176.36 3.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.4 p -137.7 153.92 74.43 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.571 0.701 . . . . 0.0 111.143 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 161.77 44.66 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.698 2.265 . . . . 0.0 112.338 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 122.81 9.49 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.672 2.248 . . . . 0.0 112.34 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.5 mp0 -39.26 -41.37 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -71.12 108.09 4.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -93.29 35.04 1.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.945 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -113.6 -26.95 8.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 12.4 mt -84.47 127.38 39.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.166 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 77.2 t -68.79 118.41 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.1 t -107.03 125.66 63.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -96.98 -32.48 11.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 175.93 -177.37 47.62 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.448 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -133.0 165.53 24.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.914 0.388 . . . . 0.0 110.882 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.36 125.56 45.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.095 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.523 HD11 ' CZ3' ' A' ' 47' ' ' TRP . 14.4 mt -111.34 108.53 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -100.55 142.83 16.01 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.483 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -144.94 155.47 43.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.911 0.386 . . . . 0.0 110.918 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 169.08 156.04 10.3 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.449 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.502 HD13 ' CZ ' ' A' ' 94' ' ' TYR . 47.3 mm -78.32 88.36 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.872 0.368 . . . . 0.0 111.133 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.67 -35.32 4.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.47 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 70.9 m -153.96 141.85 13.91 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.71 0.767 . . . . 0.0 110.839 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 0.33 5.78 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.372 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.426 ' O ' ' C ' ' A' ' 71' ' ' ALA . 23.4 m-70 -76.59 -33.72 58.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 70' ' ' HIS . . . -35.32 -61.45 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.09 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -141.4 155.77 45.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.6 m -140.71 134.62 30.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.132 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 86.6 mt -122.31 112.85 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 44.0 mttp -100.37 134.64 43.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.2 m -132.21 176.71 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.69 -179.53 0.88 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -86.54 -15.9 38.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 63.6 mttt -87.13 34.92 0.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.907 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.518 ' O ' ' CZ2' ' A' ' 47' ' ' TRP . 60.2 mm-40 -121.32 115.69 23.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -85.14 -39.4 17.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -145.01 162.3 37.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -141.69 133.88 27.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.933 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 52.7 m -96.82 111.4 23.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.12 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 70.4 mt -91.08 98.24 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.122 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -93.65 176.31 6.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 70.32 44.67 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.853 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 85.8 mt -115.57 171.06 7.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -100.17 122.96 48.55 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.598 0.713 . . . . 0.0 110.866 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 157.34 60.66 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.644 2.23 . . . . 0.0 112.344 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 37.2 t 64.43 47.08 3.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.7 m -155.27 141.34 18.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -79.5 135.71 36.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.502 ' CZ ' HD13 ' A' ' 66' ' ' ILE . 24.9 m-85 -128.14 131.01 48.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 65.5 t -96.53 122.01 47.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.16 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.0 mp -112.11 135.33 51.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 22.7 p -130.31 145.19 51.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.465 HD22 ' CB ' ' A' ' 47' ' ' TRP . 5.3 tp -136.58 136.33 39.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.0 ptpp? -139.85 132.06 28.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -80.94 123.0 27.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 101' ' ' PHE . 9.0 p90 -124.81 162.67 23.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.466 ' ND2' ' HD3' ' A' ' 28' ' ' PRO . 42.6 p-10 -159.2 -175.91 5.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -51.93 -34.65 42.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 52.6 t -65.45 -48.44 82.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.137 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 173.26 -129.56 1.7 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.512 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -133.03 158.07 43.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.895 0.378 . . . . 0.0 110.876 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -105.07 -167.08 24.05 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.461 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 5.3 mm -85.15 124.32 72.26 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.613 0.72 . . . . 0.0 111.136 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 167.85 23.2 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.668 2.245 . . . . 0.0 112.355 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 67.2 mt -118.38 176.35 5.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -136.14 125.44 24.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.945 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -134.6 174.51 10.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 71.8 p -138.24 135.32 35.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -145.25 115.04 7.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.098 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 80.1 t -102.01 102.12 13.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 40.8 p -48.22 146.08 2.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 26.6 mtp180 -74.53 158.04 85.51 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.61 0.719 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.19 0 C-N-CA 122.691 2.261 . . . . 0.0 112.374 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.806 0.336 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 26' ' ' ARG . 39.2 tt0 -83.55 -34.36 25.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 64.4 p -43.11 -23.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 24' ' ' GLU . 9.5 ptp180 -106.09 145.47 31.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.4 m -82.41 148.93 60.3 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.621 0.724 . . . . 0.0 111.129 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 102.55 1.04 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.715 2.277 . . . . 0.0 112.323 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -56.69 -179.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.464 HG22 ' CD2' ' A' ' 110' ' ' LEU . 0.4 OUTLIER -43.92 133.21 4.1 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.599 0.714 . . . . 0.0 111.157 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.405 ' N ' HG21 ' A' ' 30' ' ' VAL . 53.2 Cg_endo -69.79 167.18 25.22 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.719 2.279 . . . . 0.0 112.31 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -43.54 -54.12 5.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.5 p -172.73 179.27 2.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.837 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.489 ' CD2' ' OE1' ' A' ' 112' ' ' GLU . 1.9 tp -146.62 119.53 8.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 21.3 t-80 -110.68 147.99 33.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 23.7 m -138.13 161.1 32.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.418 ' HD3' ' C ' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -140.05 109.61 7.05 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.636 0.731 . . . . 0.0 110.887 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 120.11 6.94 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.677 2.251 . . . . 0.0 112.317 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.47 ' O ' ' C ' ' A' ' 40' ' ' VAL . 4.9 mp -115.86 154.09 30.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.95 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.47 ' C ' ' O ' ' A' ' 39' ' ' LEU . 74.8 t -31.95 -75.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.143 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 17.1 p -113.1 23.34 13.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.158 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.504 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 1.2 p -149.15 -178.96 6.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.504 ' CG1' ' O ' ' A' ' 42' ' ' SER . 22.0 mt -160.6 108.17 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 96.6 t -75.08 118.55 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.7 t -108.56 102.41 13.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.8 p -109.0 128.33 54.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.823 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.565 ' CZ2' ' O ' ' A' ' 80' ' ' GLN . 41.7 p90 -128.67 -178.72 4.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.6 p -139.77 153.15 69.7 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.525 0.679 . . . . 0.0 111.189 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 157.33 60.75 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.699 2.266 . . . . 0.0 112.326 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 126.55 13.47 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.694 2.263 . . . . 0.0 112.382 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -47.44 -25.62 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -86.4 94.34 9.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 -77.98 -17.7 56.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -54.91 -29.33 55.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 10.7 mt -89.22 137.98 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.156 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.8 t -81.48 133.3 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.126 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.0 t -119.65 130.55 73.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.8 mmp_? -100.72 -28.7 12.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.522 ' C ' ' CE1' ' A' ' 101' ' ' PHE . . . 173.45 177.23 42.53 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -123.92 164.61 18.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.913 0.387 . . . . 0.0 110.897 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -121.71 116.13 23.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.118 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.465 HD13 ' CZ3' ' A' ' 47' ' ' TRP . 10.1 mt -99.02 143.3 13.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -137.4 145.91 17.7 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.513 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.463 ' CE1' HD11 ' A' ' 74' ' ' ILE . 5.8 p90 -147.95 158.52 44.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.905 0.383 . . . . 0.0 110.898 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 154.46 147.46 4.68 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.492 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 15.7 mt -69.87 110.04 2.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.855 0.359 . . . . 0.0 111.183 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 98.88 -47.58 1.38 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.8 m -148.0 140.28 14.49 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.622 0.725 . . . . 0.0 110.859 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -23.12 30.95 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.67 2.247 . . . . 0.0 112.315 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -44.71 -25.6 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -41.33 -71.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -134.04 148.69 51.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 63.3 m -128.94 124.92 36.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.174 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.463 HD11 ' CE1' ' A' ' 64' ' ' TYR . 50.0 mt -111.58 110.44 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.08 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 49.5 mttt -98.07 123.92 42.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 30.9 m -123.13 -176.13 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.166 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -71.85 -177.75 2.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -93.76 -4.05 51.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.7 mtmt -101.39 32.69 3.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.565 ' O ' ' CZ2' ' A' ' 47' ' ' TRP . 46.7 mm-40 -113.64 109.24 18.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -69.99 -42.3 73.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 18.4 p90 -151.1 165.68 33.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -135.84 137.37 41.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.951 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 88.5 m -100.33 114.01 27.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 33.1 mt -95.29 114.58 32.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.14 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -112.41 168.81 9.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 74.61 48.42 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 55.2 mt -119.14 166.94 12.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -89.68 121.82 68.71 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.63 0.729 . . . . 0.0 110.863 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 150.56 68.7 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.393 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.3 t 67.39 48.62 1.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.7 m -152.82 138.96 18.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -79.01 134.36 36.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -130.28 129.85 43.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 77.2 t -88.21 114.58 27.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.099 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.411 ' N ' HD12 ' A' ' 96' ' ' ILE . 3.0 mp -101.19 130.31 50.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.1 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 31.1 p -129.17 154.94 46.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.515 HD21 ' CG ' ' A' ' 47' ' ' TRP . 4.9 tp -150.37 141.94 23.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.0 pttt -149.7 148.27 29.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -96.79 137.91 35.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.07 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.522 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 52.8 p90 -131.5 166.45 21.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 39.1 p-10 -151.0 -179.15 7.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -55.28 -14.48 1.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 94.8 t -90.7 -49.94 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.149 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 172.16 -160.7 32.29 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.459 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -110.95 176.98 4.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.892 0.377 . . . . 0.0 110.872 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -122.44 -144.53 6.76 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.521 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.474 HD11 ' N ' ' A' ' 108' ' ' ILE . 0.0 OUTLIER -105.23 112.93 64.98 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.59 0.709 . . . . 0.0 111.19 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 167.07 25.44 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.676 2.25 . . . . 0.0 112.362 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.464 ' CD2' HG22 ' A' ' 30' ' ' VAL . 6.3 mt -108.75 167.13 10.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -118.67 132.94 56.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.489 ' OE1' ' CD2' ' A' ' 34' ' ' LEU . 2.3 mp0 -132.67 172.98 11.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 62.1 p -140.72 135.63 31.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -147.01 126.34 13.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 47.0 t -110.07 101.29 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.168 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 33.4 p -51.31 149.02 4.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 44.6 mtt180 -78.18 153.42 79.63 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.608 0.718 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.186 0 C-N-CA 122.678 2.252 . . . . 0.0 112.317 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 t0 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.811 0.338 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 26' ' ' ARG . 53.1 tt0 -105.61 -34.55 7.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.6 t -38.82 -26.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.131 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 24' ' ' GLU . 2.4 ptm85 -108.27 159.35 16.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.441 HG11 ' N ' ' A' ' 105' ' ' GLY . 8.1 m -91.65 146.31 32.89 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.627 0.727 . . . . 0.0 111.109 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 123.9 10.54 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.644 2.229 . . . . 0.0 112.354 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -75.94 -177.46 3.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.449 HG23 ' CD2' ' A' ' 110' ' ' LEU . 0.8 OUTLIER -49.12 131.53 16.05 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.645 0.736 . . . . 0.0 111.138 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 171.23 14.87 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.659 2.24 . . . . 0.0 112.329 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.2 p -45.66 -52.3 10.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 t -174.59 -176.01 1.0 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 tp -149.46 114.4 5.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -98.13 143.3 28.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.824 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.2 m -136.02 145.46 31.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.171 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -130.35 111.79 16.69 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.583 0.706 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 122.72 9.39 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.645 2.23 . . . . 0.0 112.332 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.481 ' O ' ' C ' ' A' ' 40' ' ' VAL . 5.2 mp -116.63 154.53 30.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.481 ' C ' ' O ' ' A' ' 39' ' ' LEU . 78.4 t -30.98 -73.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.1 p -116.27 24.5 11.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.129 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.47 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 1.9 p -149.74 -177.8 6.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.47 ' CG1' ' O ' ' A' ' 42' ' ' SER . 20.9 mt -159.54 108.44 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.151 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 83.0 t -73.95 108.9 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.152 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 81.3 t -100.61 100.74 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.6 p -108.87 132.2 54.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.486 ' CZ3' ' HA ' ' A' ' 82' ' ' TYR . 39.4 p90 -136.72 177.99 7.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.964 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -139.77 157.93 68.85 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.606 0.717 . . . . 0.0 111.113 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 157.86 58.93 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.673 2.248 . . . . 0.0 112.362 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.449 ' O ' ' N ' ' A' ' 52' ' ' ASN . 53.4 Cg_endo -69.75 133.79 26.43 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.719 2.279 . . . . 0.0 112.324 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 50' ' ' PRO . 34.2 mt-10 -37.23 -31.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.828 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 50' ' ' PRO . 31.0 t-20 -92.14 86.91 5.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -76.9 -19.39 57.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -51.28 -17.29 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 11.9 mt -91.8 144.39 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 77.7 t -82.73 139.53 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 46.4 t -133.51 118.62 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.115 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -82.44 -10.35 59.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 151.24 177.61 25.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.521 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -124.99 157.19 36.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.848 0.356 . . . . 0.0 110.981 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -113.09 129.37 56.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.101 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 17.1 mt -111.06 114.18 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.099 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -107.04 123.9 7.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.493 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -131.15 154.46 48.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.968 0.413 . . . . 0.0 110.908 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 165.42 145.9 4.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.514 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.463 HG13 ' CE2' ' A' ' 94' ' ' TYR . 58.8 mt -69.74 99.77 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.845 0.355 . . . . 0.0 111.139 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.36 -45.02 1.36 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.498 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 80.2 p -134.57 130.86 20.06 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.63 0.728 . . . . 0.0 110.855 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -18.95 36.79 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.699 2.266 . . . . 0.0 112.342 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -70.76 -21.56 62.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -39.31 -48.62 1.88 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.099 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -140.62 156.92 46.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.402 HG21 ' N ' ' A' ' 74' ' ' ILE . 26.6 m -141.78 143.07 33.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.402 ' N ' HG21 ' A' ' 73' ' ' THR . 88.9 mt -138.6 109.17 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.155 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.3 mttp -97.09 120.49 37.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 29.4 m -126.58 157.66 37.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.126 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -49.06 177.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.492 ' CE1' ' HG2' ' A' ' 79' ' ' LYS . 30.1 p90 -79.64 -49.64 11.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.961 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.492 ' HG2' ' CE1' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -39.44 -30.88 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.947 179.868 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -60.87 124.13 19.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.7 ttm-85 -101.55 -27.46 13.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.837 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.486 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 9.4 p90 -151.64 164.92 35.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -140.8 137.82 33.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.985 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 83.4 m -97.99 97.54 9.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 61.8 mt -73.75 118.38 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -114.07 176.39 5.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 64.98 52.65 1.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 52.3 mt -123.23 169.15 11.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -98.4 127.04 37.38 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.572 0.701 . . . . 0.0 110.843 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 148.04 63.86 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.668 2.245 . . . . 0.0 112.333 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.3 t 67.32 45.02 1.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 t -143.75 142.34 30.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -83.7 133.79 34.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.818 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.463 ' CE2' HG13 ' A' ' 66' ' ' ILE . 24.1 m-85 -126.77 144.05 51.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 18.3 t -107.44 104.95 17.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.094 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.438 HG21 ' N ' ' A' ' 97' ' ' THR . 2.3 mp -93.16 139.14 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.438 ' N ' HG21 ' A' ' 96' ' ' ILE . 7.8 p -135.84 133.81 38.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.8 tp -125.89 140.96 52.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.6 ptpt -151.33 140.21 20.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -84.51 133.49 34.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.093 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -137.78 140.3 40.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.897 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.46 ' ND2' HG22 ' A' ' 104' ' ' VAL . 45.3 p-10 -126.19 -175.38 3.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -53.39 -19.08 3.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.461 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 3.3 t -87.92 -49.55 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.441 ' N ' HG11 ' A' ' 27' ' ' VAL . . . 166.74 -166.87 39.31 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.443 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -111.66 160.44 17.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.92 0.391 . . . . 0.0 110.889 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -101.55 -126.42 5.83 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.49 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -106.58 121.46 45.11 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.632 0.729 . . . . 0.0 111.159 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 169.99 17.66 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.679 2.252 . . . . 0.0 112.361 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.449 ' CD2' HG23 ' A' ' 30' ' ' VAL . 10.9 mt -109.98 -179.49 3.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -137.9 124.63 21.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -137.47 172.36 13.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 25.7 p -141.48 140.64 33.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -148.89 111.92 4.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.062 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 116' ' ' THR . 36.4 t -92.98 95.99 5.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 115' ' ' VAL . 2.5 p -38.24 152.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 71.6 mtt-85 -84.57 154.42 62.14 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.628 0.727 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.404 179.971 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.749 0.309 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -130.08 38.17 3.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.2 p -111.84 -20.16 12.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.429 ' NH1' ' HB2' ' A' ' 26' ' ' ARG . 2.9 ptm85 -125.39 161.12 27.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 32.8 m -81.19 146.98 59.61 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.646 0.736 . . . . 0.0 111.149 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 102.9 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.674 2.249 . . . . 0.0 112.33 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 30' ' ' VAL . 2.9 pt-20 -56.39 167.55 0.67 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.466 ' CG2' HD22 ' A' ' 110' ' ' LEU . 3.9 p -34.12 137.61 0.32 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.619 0.723 . . . . 0.0 111.137 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.417 ' HD2' ' CG2' ' A' ' 30' ' ' VAL . 53.3 Cg_endo -69.77 170.31 16.9 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.679 2.253 . . . . 0.0 112.346 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.1 t -46.63 -47.22 20.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -174.46 174.74 2.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.888 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.7 tp -148.78 112.17 4.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -103.27 147.84 26.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 23.7 m -134.7 145.26 32.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.088 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -129.94 109.8 16.96 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.563 0.697 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 127.36 14.48 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.701 2.267 . . . . 0.0 112.295 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.477 ' O ' ' C ' ' A' ' 40' ' ' VAL . 4.5 mp -118.19 154.41 32.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.477 ' C ' ' O ' ' A' ' 39' ' ' LEU . 78.1 t -30.67 -74.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.127 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 65.8 p -116.59 26.52 9.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.414 ' C ' HG13 ' A' ' 43' ' ' ILE . 2.2 p -151.61 -177.83 6.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.414 HG13 ' C ' ' A' ' 42' ' ' SER . 61.8 mt -157.19 118.98 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.114 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 87.6 t -89.17 105.33 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 67.9 t -97.97 103.26 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.6 t -107.38 126.99 53.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.42 ' CB ' HD23 ' A' ' 98' ' ' LEU . 45.1 p90 -126.14 168.47 13.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 68.4 p -129.85 152.43 79.87 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.604 0.716 . . . . 0.0 111.109 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 156.53 63.05 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.663 2.242 . . . . 0.0 112.359 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 51' ' ' GLU . 53.7 Cg_endo -69.81 125.07 11.7 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.698 2.266 . . . . 0.0 112.328 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 50' ' ' PRO . 4.9 pt-20 -37.37 -38.51 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -78.11 86.11 4.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 54' ' ' ASN . 44.7 mm-40 -64.54 -36.43 84.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 53' ' ' GLN . 24.1 m120 -38.16 -39.32 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 68.8 mt -68.59 126.61 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.098 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.0 t -69.98 108.92 2.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.12 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.7 t -106.29 105.89 19.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -79.06 -37.8 38.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -178.01 -172.86 42.9 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.469 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -133.63 174.09 10.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.895 0.378 . . . . 0.0 110.893 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -131.93 116.63 17.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.082 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.453 HG21 ' N ' ' A' ' 63' ' ' GLY . 47.3 mt -95.49 139.01 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.08 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.453 ' N ' HG21 ' A' ' 62' ' ' ILE . . . -130.74 134.06 7.59 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.45 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 21.9 p90 -142.09 171.57 13.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.915 0.388 . . . . 0.0 110.916 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 144.51 128.54 2.11 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.463 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.455 HG13 ' CE1' ' A' ' 94' ' ' TYR . 40.3 mt -48.57 105.64 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.885 0.374 . . . . 0.0 111.108 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.58 -52.65 0.76 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.505 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.9 m -143.65 143.6 24.19 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.654 0.74 . . . . 0.0 110.902 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 70' ' ' HIS . 53.9 Cg_endo -69.74 -40.06 5.8 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.703 2.269 . . . . 0.0 112.329 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.419 ' C ' ' O ' ' A' ' 69' ' ' PRO . 0.9 OUTLIER -36.86 -36.05 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.401 ' N ' ' CD2' ' A' ' 70' ' ' HIS . . . -39.57 -50.47 2.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -142.47 152.29 42.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 89.7 m -142.61 127.09 17.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 32.9 mt -117.57 119.44 61.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.158 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.1 mttt -102.64 132.64 48.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 26.8 m -137.3 150.41 26.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.177 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -53.11 161.93 0.76 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.504 ' CE2' ' HG3' ' A' ' 79' ' ' LYS . 53.9 p90 -59.11 -45.94 89.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.504 ' HG3' ' CE2' ' A' ' 78' ' ' TYR . 32.6 mtmt -40.36 -44.5 1.97 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.41 ' HA ' ' NE2' ' A' ' 80' ' ' GLN . 12.6 mm-40 -55.44 114.87 2.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -85.01 -36.95 20.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -144.67 167.61 22.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -141.37 136.02 31.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.946 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 89.7 m -103.33 108.99 20.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 44.4 mt -87.31 109.6 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -99.95 -176.44 3.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 63.09 45.61 5.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 93.6 mt -118.04 155.89 29.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.99 129.13 47.26 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.578 0.704 . . . . 0.0 110.883 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 150.33 67.97 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.703 2.269 . . . . 0.0 112.336 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.0 t 69.17 52.82 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.0 m -149.78 155.33 39.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.827 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -93.8 128.86 40.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.455 ' CE1' HG13 ' A' ' 66' ' ' ILE . 49.5 m-85 -126.07 125.19 42.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 93.2 t -93.44 103.55 14.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.127 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.5 mp -92.29 135.63 26.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.086 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 72.0 p -129.22 162.95 26.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.179 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.42 HD23 ' CB ' ' A' ' 47' ' ' TRP . 8.9 tp -150.91 131.19 13.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -137.48 131.05 31.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.06 139.2 38.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.105 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.492 ' CD1' ' C ' ' A' ' 101' ' ' PHE . 3.2 p90 -135.89 164.17 28.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 48.0 p-10 -167.86 179.22 4.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -46.67 -35.29 5.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 39.2 t -69.02 -49.24 64.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.155 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 165.28 -151.47 20.29 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.515 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -117.15 153.08 33.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.893 0.378 . . . . 0.0 110.849 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -99.91 -147.54 21.51 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.468 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.452 HD11 ' N ' ' A' ' 108' ' ' ILE . 0.0 OUTLIER -98.37 127.07 37.36 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.669 0.747 . . . . 0.0 111.121 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 163.55 37.81 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.681 2.254 . . . . 0.0 112.372 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.466 HD22 ' CG2' ' A' ' 30' ' ' VAL . 12.0 mt -109.14 164.97 11.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -125.6 120.19 30.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -129.31 176.82 7.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 72.9 p -140.85 139.19 34.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -161.76 119.87 2.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.112 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 40.8 t -107.14 111.38 35.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.127 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 38.0 p -45.62 147.86 0.82 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.192 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 117' ' ' ARG . 14.0 mtp-105 -74.7 154.06 87.31 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.597 0.713 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.341 0.145 0 C-N-CA 122.707 2.271 . . . . 0.0 112.358 179.962 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.765 0.316 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -129.56 36.88 4.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.2 p -108.94 -22.08 12.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.47 ' CA ' HG13 ' A' ' 104' ' ' VAL . 15.3 ptp180 -120.48 162.89 18.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.3 m -81.52 150.7 67.39 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.592 0.711 . . . . 0.0 111.145 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 103.35 1.15 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.668 2.245 . . . . 0.0 112.325 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -54.2 164.29 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.48 ' CG2' ' HD2' ' A' ' 31' ' ' PRO . 5.3 p -38.34 138.78 0.7 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.662 0.744 . . . . 0.0 111.098 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.48 ' HD2' ' CG2' ' A' ' 30' ' ' VAL . 53.4 Cg_endo -69.79 165.7 30.12 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.662 2.241 . . . . 0.0 112.346 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.5 t -45.66 -50.35 13.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 82.0 p -172.79 -175.48 1.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.8 tp -155.18 116.54 4.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -100.63 150.25 22.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.6 m -135.58 139.96 45.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.407 ' HG3' ' CD1' ' A' ' 39' ' ' LEU . 10.4 tpp180 -126.28 107.57 24.23 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.605 0.717 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 127.56 14.74 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.711 2.274 . . . . 0.0 112.337 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.5 ' O ' ' C ' ' A' ' 40' ' ' VAL . 4.1 mp -123.35 154.87 38.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.5 ' C ' ' O ' ' A' ' 39' ' ' LEU . 96.5 t -29.63 -75.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.141 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.7 p -116.77 26.68 9.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.14 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.509 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 5.3 p -151.75 -178.14 6.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.509 ' CG1' ' O ' ' A' ' 42' ' ' SER . 38.9 mt -160.72 108.97 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.078 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.464 HG23 ' CD1' ' A' ' 39' ' ' LEU . 3.9 t -75.2 91.75 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.431 HG11 ' CG2' ' A' ' 96' ' ' ILE . 89.1 t -82.46 100.54 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.147 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.47 ' HA ' ' CB ' ' A' ' 82' ' ' TYR . 1.3 m -104.82 134.9 47.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.462 ' CB ' HD22 ' A' ' 98' ' ' LEU . 48.8 p90 -129.53 -175.31 3.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.0 p -142.15 155.12 65.2 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.574 0.702 . . . . 0.0 111.118 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 161.39 46.1 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.7 2.267 . . . . 0.0 112.362 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 51' ' ' GLU . 54.2 Cg_endo -69.74 126.99 13.98 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.688 2.259 . . . . 0.0 112.37 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 50' ' ' PRO . 1.8 tt0 -35.5 -43.56 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -84.4 117.21 23.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 54' ' ' ASN . 14.1 mm-40 -83.58 -40.32 19.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 53' ' ' GLN . 35.1 m120 -36.83 -40.86 0.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 77.1 mt -66.08 131.92 31.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 94.9 t -77.62 131.71 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.147 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.508 HG12 ' CZ ' ' A' ' 60' ' ' TYR . 93.5 t -125.09 116.23 46.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.086 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.477 ' CZ ' ' OD1' ' A' ' 103' ' ' ASN . 7.2 mmt85 -82.62 -35.56 26.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 177.34 -176.25 47.97 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.508 ' CZ ' HG12 ' A' ' 57' ' ' VAL . 5.4 m-85 -132.54 141.8 48.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.874 0.369 . . . . 0.0 110.92 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -106.45 129.34 54.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.45 HD12 ' CZ3' ' A' ' 47' ' ' TRP . 20.4 mt -104.47 148.28 9.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.136 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -140.24 123.46 2.42 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.496 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 5.9 p90 -127.53 166.12 18.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.972 0.415 . . . . 0.0 110.9 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 156.4 126.98 0.98 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.553 HG13 ' CE2' ' A' ' 94' ' ' TYR . 20.4 mt -53.59 107.88 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.874 0.369 . . . . 0.0 111.109 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.67 -50.3 2.9 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.505 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 21.0 p -126.79 124.62 24.13 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.726 0.774 . . . . 0.0 110.865 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -9.49 26.23 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.673 2.249 . . . . 0.0 112.342 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 40.5 m-70 -82.91 43.13 0.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -107.37 -45.74 4.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 21.1 mp0 -140.48 151.04 44.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.7 m -133.86 123.96 25.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 77.9 mt -121.42 107.96 21.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 55.3 mttm -98.83 118.62 35.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.926 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 34.6 m -118.28 176.53 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -68.59 173.35 5.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -76.74 -21.38 55.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.0 mttp -82.79 37.38 0.53 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -120.12 113.09 19.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.979 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -77.71 -39.38 44.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.83 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.47 ' CB ' ' HA ' ' A' ' 46' ' ' SER . 45.3 p90 -155.28 171.21 20.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -136.66 140.57 42.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.927 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 93.4 m -100.78 96.82 7.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.109 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 71.8 mt -77.53 130.9 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.157 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -126.01 -177.05 3.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.465 ' N ' ' ND2' ' A' ' 87' ' ' ASN . 0.4 OUTLIER 74.58 31.91 0.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.454 HD23 ' CE2' ' A' ' 94' ' ' TYR . 52.7 mt -110.62 176.89 4.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.65 139.04 29.27 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.59 0.71 . . . . 0.0 110.911 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 155.95 64.71 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.679 2.253 . . . . 0.0 112.37 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.7 t 67.31 50.48 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.81 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 23.2 t -152.36 153.6 33.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.833 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 7.6 t-160 -99.78 130.76 46.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.553 ' CE2' HG13 ' A' ' 66' ' ' ILE . 50.9 m-85 -123.83 147.65 47.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.96 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 96.1 t -113.66 104.22 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.158 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.468 HG23 ' N ' ' A' ' 97' ' ' THR . 4.7 mp -93.31 139.06 18.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.468 ' N ' HG23 ' A' ' 96' ' ' ILE . 47.6 p -133.52 154.23 51.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.462 HD22 ' CB ' ' A' ' 47' ' ' TRP . 4.8 tp -143.13 136.05 27.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.946 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -142.73 135.54 28.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -84.57 132.53 34.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.087 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 45.6 p90 -133.48 133.09 41.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -131.67 -178.86 5.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.477 ' OD1' ' CZ ' ' A' ' 58' ' ' ARG . 77.5 m-20 -48.79 -40.57 29.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.47 HG13 ' CA ' ' A' ' 26' ' ' ARG . 35.9 t -60.96 -49.53 84.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 167.7 -158.15 30.84 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.492 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -106.31 157.29 17.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.36 . . . . 0.0 110.863 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -106.77 -145.23 12.31 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.451 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.447 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -104.83 125.34 34.07 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.625 0.726 . . . . 0.0 111.135 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 170.21 17.11 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.649 2.233 . . . . 0.0 112.357 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 53.9 mt -116.92 166.59 11.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.966 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -124.96 126.48 45.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.967 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -134.1 175.34 9.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 31.9 p -141.92 134.17 27.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -149.74 113.93 5.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.096 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 96.1 t -98.12 107.33 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 47.8 p -44.92 145.57 0.94 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.158 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 32.2 mtt180 -61.32 157.65 43.16 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.594 0.712 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.199 0 C-N-CA 122.676 2.251 . . . . 0.0 112.375 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.1 t0 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.741 0.305 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 26' ' ' ARG . 50.5 tt0 -94.14 -41.46 9.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 24' ' ' GLU . 49.4 p -37.58 -29.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.13 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 24' ' ' GLU . 4.0 ptp180 -103.3 143.12 33.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.829 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.414 HG13 ' C ' ' A' ' 105' ' ' GLY . 22.5 m -82.37 147.03 55.53 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.566 0.698 . . . . 0.0 111.141 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 102.22 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.634 2.222 . . . . 0.0 112.336 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -52.15 -177.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.455 ' CG2' ' HD2' ' A' ' 31' ' ' PRO . 4.8 p -48.54 138.4 11.72 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.63 0.728 . . . . 0.0 111.085 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.455 ' HD2' ' CG2' ' A' ' 30' ' ' VAL . 53.9 Cg_endo -69.8 173.76 10.53 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.637 2.225 . . . . 0.0 112.367 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.6 p -57.3 -42.73 82.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.9 p -174.21 -176.12 1.1 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 tp -153.67 123.58 6.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.939 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.547 ' C ' ' CD2' ' A' ' 35' ' ' HIS . 0.4 OUTLIER -107.34 155.36 20.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 179.892 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.503 ' N ' ' CD2' ' A' ' 35' ' ' HIS . 2.3 m -151.81 125.03 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 -109.27 106.53 58.79 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.611 0.72 . . . . 0.0 110.828 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 118.52 5.73 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.672 2.248 . . . . 0.0 112.344 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.494 ' O ' ' C ' ' A' ' 40' ' ' VAL . 6.5 mp -116.57 154.72 29.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.494 ' C ' ' O ' ' A' ' 39' ' ' LEU . 71.1 t -30.26 -73.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.083 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.5 p -116.56 25.19 10.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.126 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.481 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 0.8 OUTLIER -147.97 177.15 9.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.862 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.481 ' CG1' ' O ' ' A' ' 42' ' ' SER . 20.3 mt -160.03 105.02 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.123 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.1 t -73.38 94.36 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.079 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 74.9 t -87.08 99.95 9.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.432 ' HA ' ' CB ' ' A' ' 82' ' ' TYR . 8.5 t -106.51 137.43 44.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.825 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.454 ' HB2' ' CD2' ' A' ' 98' ' ' LEU . 49.0 p90 -133.28 -175.65 3.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -144.76 159.17 51.53 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.634 0.73 . . . . 0.0 111.134 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 157.72 59.38 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.68 2.253 . . . . 0.0 112.315 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 136.51 33.16 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.63 2.22 . . . . 0.0 112.366 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -41.83 -44.21 3.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -73.59 108.71 6.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -95.52 38.03 1.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.513 ' C ' ' ND2' ' A' ' 54' ' ' ASN . 0.1 OUTLIER -115.93 -25.25 7.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 8.0 mt -83.54 146.91 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 83.8 t -83.35 126.56 40.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.143 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 56.7 t -114.35 125.05 71.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.101 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -96.97 -21.03 17.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 162.12 -177.26 38.38 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.495 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.442 ' CD1' ' N ' ' A' ' 60' ' ' TYR . 0.6 OUTLIER -133.76 146.28 50.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.917 0.389 . . . . 0.0 110.923 -179.795 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -105.6 132.0 52.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.1 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 14.9 mt -106.67 129.38 60.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -116.51 123.3 5.79 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.5 ' CZ ' ' CB ' ' A' ' 72' ' ' GLN . 10.4 p90 -134.21 150.34 51.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.981 0.419 . . . . 0.0 110.905 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 166.56 153.68 7.94 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.495 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.513 HD12 ' CE1' ' A' ' 94' ' ' TYR . 17.9 mm -71.77 92.95 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.849 0.357 . . . . 0.0 111.123 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.81 -41.42 2.23 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.503 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.3 m -148.61 141.98 15.82 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.638 0.732 . . . . 0.0 110.894 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.402 ' HG3' ' CG2' ' A' ' 97' ' ' THR . 53.3 Cg_endo -69.78 0.55 5.5 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.636 2.224 . . . . 0.0 112.34 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.431 ' O ' ' C ' ' A' ' 71' ' ' ALA . 13.0 m170 -72.54 -36.61 68.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.868 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 70' ' ' HIS . . . -34.3 -58.43 0.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.059 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.5 ' CB ' ' CZ ' ' A' ' 64' ' ' TYR . 19.2 mt-30 -134.67 153.64 51.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 89.9 m -141.56 127.33 19.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 69.8 mt -132.14 111.22 17.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.3 pttp -111.37 127.7 55.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.6 m -111.5 -178.95 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -68.92 -173.93 0.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -84.12 -17.18 40.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.1 mmtt -88.52 38.77 0.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.912 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.427 ' O ' ' CZ2' ' A' ' 47' ' ' TRP . 45.7 mm-40 -126.76 111.03 13.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -75.12 -38.84 60.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.441 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 26.5 p90 -153.01 176.62 11.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.927 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -142.06 133.79 27.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 55.2 m -95.67 96.91 9.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.17 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.417 ' CG2' HD13 ' A' ' 88' ' ' LEU . 56.7 mt -79.4 97.63 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.153 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -99.74 170.69 8.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 72.68 44.71 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.417 HD13 ' CG2' ' A' ' 85' ' ' ILE . 56.0 mt -112.69 162.65 15.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -85.37 116.76 66.87 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.576 0.703 . . . . 0.0 110.878 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 156.32 63.63 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.698 2.265 . . . . 0.0 112.337 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.9 t 66.88 54.75 0.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.1 p -166.07 147.79 6.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -83.25 140.59 32.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.513 ' CE1' HD12 ' A' ' 66' ' ' ILE . 12.5 m-85 -131.26 134.04 46.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 88.0 t -98.42 109.6 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.17 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 3.5 mp -96.04 138.93 20.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.402 ' CG2' ' HG3' ' A' ' 69' ' ' PRO . 41.3 p -135.89 134.03 38.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.454 ' CD2' ' HB2' ' A' ' 47' ' ' TRP . 5.5 tp -124.65 141.52 52.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -150.88 140.21 21.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.27 131.94 35.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -134.07 142.97 47.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 36.8 p-10 -128.61 -174.98 3.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -50.39 -27.33 6.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.453 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 98.1 t -79.77 -50.04 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.096 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.414 ' C ' HG13 ' A' ' 27' ' ' VAL . . . 164.62 -166.65 38.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.517 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -107.26 166.06 10.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.865 0.364 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -109.09 -124.88 5.02 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.491 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.26 121.06 42.64 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.604 0.716 . . . . 0.0 111.121 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 171.18 14.98 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.707 2.272 . . . . 0.0 112.352 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 84.9 mt -110.34 178.13 4.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -136.33 129.23 31.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -139.68 178.25 7.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 60.6 p -140.48 142.29 35.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -156.84 117.58 3.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 99.0 t -100.14 102.3 13.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 81.9 p -46.66 132.54 10.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.41 154.67 22.15 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.606 0.717 . . . . 0.0 110.859 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--O 1.232 0.207 0 C-N-CA 122.691 2.261 . . . . 0.0 112.34 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 . . . . . 0 C--O 1.23 0.038 0 CA-C-O 120.754 0.311 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 26' ' ' ARG . 1.8 tm-20 -92.94 -32.2 14.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.0 t -42.25 -23.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 24' ' ' GLU . 16.6 ptt180 -108.92 139.59 43.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.2 m -68.48 147.41 98.11 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.588 0.709 . . . . 0.0 111.152 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 98.05 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.707 2.271 . . . . 0.0 112.34 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -48.8 165.78 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.911 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.5 p -38.88 136.81 0.93 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.653 0.74 . . . . 0.0 111.127 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 164.18 35.47 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.677 2.251 . . . . 0.0 112.402 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.4 p -45.04 -47.94 11.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 81.2 p -175.32 -177.19 1.0 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.848 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.5 tp -150.91 112.91 4.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 38.7 t-80 -98.3 146.05 26.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.3 m -136.95 136.22 47.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.102 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.77 110.29 40.48 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.609 0.719 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 121.78 8.46 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.688 2.259 . . . . 0.0 112.325 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.517 ' O ' ' C ' ' A' ' 40' ' ' VAL . 2.5 mp -114.38 154.9 27.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.517 ' C ' ' O ' ' A' ' 39' ' ' LEU . 97.7 t -27.49 -69.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.5 p -119.2 0.44 11.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.486 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 4.2 p -120.28 -177.87 3.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.486 ' CG1' ' O ' ' A' ' 42' ' ' SER . 39.3 mt -159.91 105.01 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.127 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 85.0 t -71.92 113.89 9.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 96.9 t -107.3 100.84 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.147 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 t -106.72 128.54 54.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.5 ' CZ3' HD13 ' A' ' 62' ' ' ILE . 47.8 p90 -126.15 178.01 6.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 40.0 p -142.15 153.28 63.19 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.599 0.714 . . . . 0.0 111.104 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 160.21 50.56 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.689 2.26 . . . . 0.0 112.35 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 133.36 25.38 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.65 2.233 . . . . 0.0 112.314 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -38.56 -39.47 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -78.54 62.43 3.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -45.52 -29.23 1.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -46.45 -36.45 6.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 35.7 mt -74.28 121.67 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.7 t -59.88 146.74 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 94.5 t -136.3 112.02 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.151 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.0 mmt85 -77.69 -42.32 34.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 179.35 -177.02 48.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.504 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -127.7 173.23 10.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.895 0.378 . . . . 0.0 110.944 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -132.28 112.01 11.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.083 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.5 HD13 ' CZ3' ' A' ' 47' ' ' TRP . 30.5 mt -96.55 123.44 48.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -120.86 127.61 7.07 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.474 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' A' ' 64' ' ' TYR . 2.9 p90 -121.15 160.62 23.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.883 0.373 . . . . 0.0 110.989 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 163.78 121.64 0.57 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.469 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 66.6 mt -47.77 122.47 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 0.0 111.154 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.21 -45.8 2.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.462 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.568 ' HB2' ' CD2' ' A' ' 70' ' ' HIS . 23.2 m -138.89 130.55 15.36 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.671 0.748 . . . . 0.0 110.831 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 0.29 5.89 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.692 2.261 . . . . 0.0 112.324 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.568 ' CD2' ' HB2' ' A' ' 68' ' ' SER . 0.6 OUTLIER -81.6 49.09 1.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -115.92 -55.1 2.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.057 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -139.01 166.99 23.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.0 m -141.98 136.38 30.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.12 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.559 HD12 ' CE1' ' A' ' 83' ' ' TYR . 87.6 mt -125.9 114.87 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.088 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 32.6 mmtt -101.29 116.69 33.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 31.5 m -118.87 167.88 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -78.28 165.99 23.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.804 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.51 ' CE2' ' HG3' ' A' ' 79' ' ' LYS . 27.7 p90 -57.87 -46.15 85.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.51 ' HG3' ' CE2' ' A' ' 78' ' ' TYR . 22.8 mttm -44.34 -47.14 9.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.855 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -53.25 112.16 0.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.93 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.69 -39.33 27.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.864 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.443 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 53.3 p90 -143.11 175.35 9.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.559 ' CE1' HD12 ' A' ' 74' ' ' ILE . 27.4 t80 -139.32 131.52 28.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 91.5 m -98.38 93.15 6.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.141 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 53.3 mt -71.8 114.91 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -112.72 172.45 6.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 69.98 48.53 0.54 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 16.6 mt -117.96 170.55 8.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -95.56 119.95 64.37 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.592 0.711 . . . . 0.0 110.854 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 152.9 69.65 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.657 2.238 . . . . 0.0 112.351 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.1 t 69.64 47.27 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.7 t -157.26 146.35 19.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.432 ' CD2' ' N ' ' A' ' 94' ' ' TYR . 4.6 t-160 -79.59 136.12 36.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.828 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.432 ' N ' ' CD2' ' A' ' 93' ' ' HIS . 19.9 m-85 -130.01 118.1 21.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 44.7 t -87.73 115.23 27.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.161 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.462 HG23 ' N ' ' A' ' 97' ' ' THR . 3.2 mp -103.59 140.26 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.462 ' N ' HG23 ' A' ' 96' ' ' ILE . 22.1 p -127.59 155.81 43.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.446 ' CD2' ' HB2' ' A' ' 47' ' ' TRP . 5.6 tp -145.08 129.93 18.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.922 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.1 ptpp? -134.03 130.5 37.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -84.75 121.41 27.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.467 ' CB ' ' HA ' ' A' ' 106' ' ' GLU . 7.1 p90 -123.56 164.73 18.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 39.1 p-10 -152.09 -176.9 5.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -54.08 -32.36 54.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 83.9 t -72.53 -49.56 40.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 174.78 -177.43 46.87 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.506 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.467 ' HA ' ' CB ' ' A' ' 101' ' ' PHE . 9.6 mp0 -86.58 166.34 15.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.883 0.373 . . . . 0.0 110.86 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -114.13 -158.08 12.37 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 3.7 mm -89.15 124.31 65.16 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.599 0.714 . . . . 0.0 111.13 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 167.64 23.94 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.71 2.273 . . . . 0.0 112.308 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 26.5 mt -118.89 156.46 29.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -115.53 125.09 52.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -137.29 175.32 9.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 72.8 m -142.07 142.25 32.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.815 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -153.01 112.16 3.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.093 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 65.1 t -97.24 114.37 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.18 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 17.7 p -57.36 143.81 38.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 29.9 mtp180 -71.16 156.94 91.21 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.607 0.717 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.176 0 C-N-CA 122.694 2.263 . . . . 0.0 112.351 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.754 0.312 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -121.56 27.92 7.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.9 t -99.99 -22.74 15.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.173 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 37.7 ptt180 -121.64 157.11 31.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.7 m -83.55 146.69 50.72 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.657 0.741 . . . . 0.0 111.117 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 104.04 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.307 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -49.91 -178.8 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.465 ' CG2' ' HD2' ' A' ' 31' ' ' PRO . 4.4 p -47.25 138.64 7.99 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.678 0.752 . . . . 0.0 111.102 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.465 ' HD2' ' CG2' ' A' ' 30' ' ' VAL . 53.7 Cg_endo -69.79 167.95 23.01 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.619 2.212 . . . . 0.0 112.315 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.6 m -48.01 -53.29 16.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.852 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 t -170.2 -177.82 2.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.0 tp -153.82 114.79 4.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -106.28 140.08 39.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.829 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.5 m -132.51 134.13 59.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.8 ttm-85 -116.99 108.71 43.79 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.622 0.725 . . . . 0.0 110.84 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 126.45 13.32 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.643 2.229 . . . . 0.0 112.391 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.473 ' O ' ' C ' ' A' ' 40' ' ' VAL . 3.3 mp -119.98 154.4 34.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.929 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.473 ' C ' ' O ' ' A' ' 39' ' ' LEU . 59.5 t -31.49 -74.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 47.7 p -115.02 25.77 10.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.424 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 9.5 p -150.0 179.55 7.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.816 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.424 ' CG1' ' O ' ' A' ' 42' ' ' SER . 54.9 mt -158.24 108.68 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.127 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 89.9 t -81.72 95.32 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 83.1 t -88.91 100.13 10.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.1 t -104.88 127.84 52.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.824 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.555 ' CZ3' HD12 ' A' ' 62' ' ' ILE . 49.3 p90 -123.14 -175.02 3.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.1 p -142.8 157.69 61.04 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.547 0.689 . . . . 0.0 111.154 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 160.1 50.95 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.68 2.253 . . . . 0.0 112.345 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 51' ' ' GLU . 54.1 Cg_endo -69.73 123.99 10.65 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.725 2.284 . . . . 0.0 112.323 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 50' ' ' PRO . 5.9 mt-10 -34.22 -39.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.656 ' ND2' HD22 ' A' ' 54' ' ' ASN . 6.4 t-20 -88.42 126.9 35.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.501 ' O ' ' N ' ' A' ' 55' ' ' ILE . 1.3 mp0 -97.12 -35.97 10.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.656 HD22 ' ND2' ' A' ' 52' ' ' ASN . 0.1 OUTLIER -37.6 -27.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.962 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.501 ' N ' ' O ' ' A' ' 53' ' ' GLN . 92.4 mt -80.11 136.99 22.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.114 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.476 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 76.7 t -81.2 112.7 19.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.155 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 98.5 t -104.18 129.47 56.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -100.73 -45.45 5.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -171.36 171.54 44.04 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.516 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -122.73 164.37 18.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.92 0.39 . . . . 0.0 110.927 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -120.68 142.45 49.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.07 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.555 HD12 ' CZ3' ' A' ' 47' ' ' TRP . 14.3 mt -121.81 105.03 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -105.44 125.36 8.24 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -126.16 164.44 20.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.945 0.402 . . . . 0.0 110.892 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 152.26 131.86 1.75 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.534 HD11 ' CE2' ' A' ' 94' ' ' TYR . 5.1 mp -62.49 136.1 26.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.869 0.366 . . . . 0.0 111.156 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 81.04 -44.43 3.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.469 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.7 m -158.14 139.24 9.53 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.69 0.757 . . . . 0.0 110.862 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 0.18 5.99 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.651 2.234 . . . . 0.0 112.383 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -82.3 42.92 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -118.77 -67.61 0.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.42 ' NE2' ' HA ' ' A' ' 72' ' ' GLN . 5.4 mm-40 -131.47 146.24 52.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.5 t -142.61 153.05 43.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 31.2 mt -139.03 117.9 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.169 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 52.5 mttm -99.27 120.31 39.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 28.2 m -125.37 166.04 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -57.66 167.57 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -70.79 -44.83 65.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.4 mttp -40.7 -43.31 1.93 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.893 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -52.32 116.08 2.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.9 tmm_? -82.59 -39.22 22.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 25.5 p90 -143.46 167.78 21.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -138.67 126.38 22.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 89.6 m -101.65 105.49 16.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.161 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 41.1 mt -81.02 134.82 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.454 ' O ' ' CG ' ' A' ' 87' ' ' ASN . 43.6 mt-10 -117.4 -174.8 2.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.454 ' CG ' ' O ' ' A' ' 86' ' ' GLU . 0.5 OUTLIER 48.52 49.01 18.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 53.1 mt -109.51 179.41 4.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -111.12 122.67 37.22 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.522 0.677 . . . . 0.0 110.884 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -179.53 2.96 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.673 2.249 . . . . 0.0 112.369 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.2 p 42.46 40.56 1.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.8 m -144.33 133.52 22.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.863 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.422 ' CE1' HG22 ' A' ' 95' ' ' VAL . 3.7 t-80 -80.1 123.19 27.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.534 ' CE2' HD11 ' A' ' 66' ' ' ILE . 22.6 m-85 -114.41 129.54 56.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.422 HG22 ' CE1' ' A' ' 93' ' ' HIS . 59.4 t -98.12 107.66 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.11 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.419 ' CD1' ' N ' ' A' ' 96' ' ' ILE . 2.9 mp -93.82 140.87 15.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.411 ' N ' HG21 ' A' ' 96' ' ' ILE . 21.2 p -134.51 127.63 31.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.138 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.456 ' CD2' ' HB2' ' A' ' 47' ' ' TRP . 7.1 tp -118.06 140.94 49.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -146.43 137.16 24.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.35 130.16 34.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.131 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -138.76 141.91 38.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 56' ' ' VAL . 35.2 p-10 -126.54 -175.08 3.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -44.48 -28.32 0.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 10.6 t -77.86 -50.03 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.136 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 160.56 -173.12 37.07 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.5 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -96.32 161.99 13.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.898 0.38 . . . . 0.0 110.879 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -108.62 -123.93 4.92 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.454 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -107.81 121.43 44.06 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.636 0.731 . . . . 0.0 111.143 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 170.78 15.78 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.707 2.272 . . . . 0.0 112.341 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 23.4 mt -112.19 171.66 7.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -128.0 118.92 24.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -127.22 -179.22 4.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.851 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 52.7 p -142.0 150.0 40.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.817 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -161.4 111.01 1.61 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.115 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 92.9 t -100.46 107.58 21.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.117 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 37.3 p -64.02 128.76 37.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -61.54 154.96 62.24 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.624 0.726 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.208 0 C-N-CA 122.657 2.238 . . . . 0.0 112.39 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.7 t0 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.728 0.299 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -123.45 34.2 5.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.1 t -108.44 -11.63 15.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.3 ptt180 -138.56 155.6 48.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.827 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.471 HG13 ' N ' ' A' ' 105' ' ' GLY . 13.6 m -79.38 144.51 62.04 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.654 0.74 . . . . 0.0 111.16 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.423 ' HD3' ' CG ' ' A' ' 102' ' ' ASN . 53.9 Cg_endo -69.72 100.69 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.717 2.278 . . . . 0.0 112.338 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -50.73 174.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.403 ' CG2' ' HD2' ' A' ' 31' ' ' PRO . 3.6 p -40.99 137.44 1.48 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.643 0.735 . . . . 0.0 111.099 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.403 ' HD2' ' CG2' ' A' ' 30' ' ' VAL . 53.7 Cg_endo -69.81 172.4 12.75 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.626 2.217 . . . . 0.0 112.335 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.9 t -49.35 -47.84 47.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 74.9 p -174.59 -176.04 1.01 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.875 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.5 tp -154.56 114.29 3.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.423 ' CE1' ' HG3' ' A' ' 37' ' ' ARG . 8.1 t-80 -106.04 147.58 28.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.2 m -137.01 139.13 44.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.423 ' HG3' ' CE1' ' A' ' 35' ' ' HIS . 23.5 mtt-85 -116.4 107.85 46.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.611 0.72 . . . . 0.0 110.859 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 123.43 10.1 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.739 2.293 . . . . 0.0 112.313 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.492 ' O ' ' C ' ' A' ' 40' ' ' VAL . 6.1 mp -118.88 154.54 32.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.492 ' C ' ' O ' ' A' ' 39' ' ' LEU . 99.9 t -29.81 -73.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 76.1 p -117.28 25.34 10.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.166 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.451 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 2.9 t -148.5 179.64 7.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.814 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.464 HG13 ' CD1' ' A' ' 88' ' ' LEU . 53.7 mt -158.82 107.01 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.103 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 75.8 t -78.0 92.52 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 62.5 t -82.91 104.06 11.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.13 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 73.8 p -108.12 124.36 50.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.433 ' CZ3' ' HA ' ' A' ' 82' ' ' TYR . 48.6 p90 -121.2 175.17 6.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.0 p -133.13 156.89 79.5 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.565 0.697 . . . . 0.0 111.122 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 160.28 50.28 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.663 2.242 . . . . 0.0 112.35 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 51' ' ' GLU . 54.0 Cg_endo -69.71 124.56 11.23 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.67 2.247 . . . . 0.0 112.382 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 50' ' ' PRO . 9.2 mt-10 -36.14 -37.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 31.8 t-20 -89.48 94.36 9.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.923 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 54' ' ' ASN . 18.4 mm100 -69.07 -40.4 78.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 53' ' ' GLN . 31.2 m120 -36.37 -40.16 0.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 73.8 mt -69.5 139.05 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.133 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 73.4 t -74.24 136.46 25.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 65.4 t -134.83 115.48 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.114 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -83.59 -46.72 12.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.811 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -171.38 -168.07 32.49 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.438 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -138.62 144.63 39.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.877 0.37 . . . . 0.0 110.96 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -102.88 117.67 35.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.112 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 54.0 mt -94.48 126.94 46.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -118.16 119.56 4.43 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.519 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 40.4 p90 -128.88 150.81 50.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.964 0.411 . . . . 0.0 110.903 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 163.65 134.97 1.73 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.478 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.53 HG13 ' CE2' ' A' ' 94' ' ' TYR . 55.5 mt -57.48 120.14 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.867 0.365 . . . . 0.0 111.137 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.01 -53.44 3.95 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.493 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 44.3 m -140.19 139.19 20.45 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.654 0.74 . . . . 0.0 110.847 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.66 0.69 5.21 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.679 2.253 . . . . 0.0 112.392 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -83.57 42.45 0.84 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -108.59 -52.15 2.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.089 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -149.88 148.13 28.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 66.0 m -130.96 132.98 45.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.177 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 78.5 mt -120.16 110.07 27.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -90.34 125.97 35.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 18.6 m -136.72 154.99 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -60.78 164.31 4.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.446 ' O ' ' C ' ' A' ' 79' ' ' LYS . 35.1 p90 -58.71 -49.9 75.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.957 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 78' ' ' TYR . 34.9 mmtm -34.1 -49.14 0.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 53.4 mm-40 -49.42 116.99 1.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.14 -37.1 17.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.433 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 25.1 p90 -146.93 169.57 18.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -140.95 129.89 23.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.908 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 85.9 m -94.0 98.98 11.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.119 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 49.3 mt -77.61 100.32 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.127 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -95.62 175.96 6.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.936 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 67.75 48.38 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.464 ' CD1' HG13 ' A' ' 43' ' ' ILE . 19.6 mt -117.81 165.85 13.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -91.11 124.13 62.54 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.639 0.733 . . . . 0.0 110.864 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 144.29 53.69 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.69 2.26 . . . . 0.0 112.335 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t 69.51 44.12 0.94 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.7 m -142.01 142.12 32.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.824 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -79.72 132.81 36.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.84 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.53 ' CE2' HG13 ' A' ' 66' ' ' ILE . 34.4 m-85 -130.49 131.9 45.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 95.4 t -98.86 105.0 16.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.092 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.465 HG21 ' N ' ' A' ' 97' ' ' THR . 5.1 mp -91.54 139.2 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.465 ' N ' HG21 ' A' ' 96' ' ' ILE . 53.8 p -131.42 158.34 41.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.405 HD23 ' CB ' ' A' ' 47' ' ' TRP . 5.0 tp -150.79 132.63 15.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -135.99 131.51 35.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -84.76 124.51 31.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 43.2 p90 -134.09 146.67 50.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.423 ' CG ' ' HD3' ' A' ' 28' ' ' PRO . 52.5 p-10 -134.69 -174.74 3.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -48.46 -24.41 1.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 23.2 t -80.11 -50.11 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.471 ' N ' HG13 ' A' ' 27' ' ' VAL . . . 167.35 -169.13 40.89 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.477 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -108.06 145.07 34.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.891 0.377 . . . . 0.0 110.884 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -91.12 -134.76 6.18 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.498 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.443 HD13 ' N ' ' A' ' 108' ' ' ILE . 0.0 OUTLIER -105.67 128.27 26.83 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.645 0.736 . . . . 0.0 111.098 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 173.25 11.2 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.68 2.254 . . . . 0.0 112.349 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 73.0 mt -117.63 159.66 22.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.451 ' C ' ' OE1' ' A' ' 112' ' ' GLU . 6.2 m-85 -117.07 121.94 42.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.451 ' OE1' ' C ' ' A' ' 111' ' ' TYR . 0.5 OUTLIER -125.67 172.2 9.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 54.9 p -142.07 134.91 28.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.885 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -161.38 121.58 2.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.083 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 95.4 t -103.58 105.45 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 27.6 p -45.42 136.66 5.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.179 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -67.02 154.22 92.95 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.602 0.715 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.177 0 C-N-CA 122.725 2.283 . . . . 0.0 112.301 -179.951 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.766 0.317 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -125.03 37.44 4.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.2 t -117.59 -10.66 10.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.145 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -127.5 151.97 48.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.1 m -86.79 146.41 41.04 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.633 0.73 . . . . 0.0 111.132 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 107.36 1.83 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.692 2.261 . . . . 0.0 112.372 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 30' ' ' VAL . 1.8 pp20? -62.7 168.07 4.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.836 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.465 HG22 ' CD2' ' A' ' 110' ' ' LEU . 2.9 p -34.86 136.15 0.4 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.583 0.706 . . . . 0.0 111.133 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.457 ' HG2' ' CD1' ' A' ' 110' ' ' LEU . 54.0 Cg_endo -69.7 -179.2 2.72 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.681 2.254 . . . . 0.0 112.384 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.7 p -61.56 -43.63 98.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.843 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.7 m -174.98 -178.42 1.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 tp -147.44 116.23 6.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.932 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -105.75 137.01 44.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.471 ' CG2' ' HG3' ' A' ' 112' ' ' GLU . 3.6 m -134.95 129.82 51.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -111.04 110.52 56.65 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.586 0.708 . . . . 0.0 110.827 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 122.31 8.98 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.646 2.231 . . . . 0.0 112.347 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.458 ' O ' ' C ' ' A' ' 40' ' ' VAL . 3.3 mp -115.88 154.16 30.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.458 ' C ' ' O ' ' A' ' 39' ' ' LEU . 66.1 t -33.03 -75.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.114 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 34.8 p -113.08 25.04 11.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.133 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.5 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 12.9 p -150.9 -178.39 6.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.5 ' CG1' ' O ' ' A' ' 42' ' ' SER . 21.9 mt -160.58 106.8 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.145 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 97.0 t -76.27 100.4 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 45.0 t -92.18 100.37 11.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.138 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -106.17 124.31 49.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.452 ' CZ3' HD13 ' A' ' 62' ' ' ILE . 47.8 p90 -120.77 -178.54 3.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.884 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -143.77 153.7 58.14 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.545 0.688 . . . . 0.0 111.153 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 158.18 57.75 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.669 2.246 . . . . 0.0 112.324 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 144.11 53.07 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.708 2.272 . . . . 0.0 112.324 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -41.52 -40.7 1.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -75.26 100.02 4.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -88.32 25.33 1.67 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -110.16 -22.08 11.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 73.1 mt -76.55 125.94 36.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.9 t -66.19 112.65 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 45.9 t -112.43 117.98 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.11 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -83.5 -24.44 31.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 165.26 -171.11 40.49 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.512 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -132.12 157.93 42.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.904 0.383 . . . . 0.0 110.887 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.4 107.43 13.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.122 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.452 HD13 ' CZ3' ' A' ' 47' ' ' TRP . 12.3 mt -89.36 155.84 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.433 ' N ' HG22 ' A' ' 62' ' ' ILE . . . -145.94 139.85 8.48 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.521 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 55.1 p90 -139.48 154.89 47.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.968 0.414 . . . . 0.0 110.906 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 164.98 160.26 12.2 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.486 HD13 ' CZ ' ' A' ' 94' ' ' TYR . 43.6 mm -81.41 102.48 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.819 0.342 . . . . 0.0 111.136 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.55 -41.13 2.21 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.511 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.2 t -148.12 137.99 12.52 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.653 0.74 . . . . 0.0 110.862 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -15.4 36.95 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.728 2.285 . . . . 0.0 112.33 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.406 ' CD2' ' N ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -55.75 -19.93 12.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.911 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.406 ' N ' ' CD2' ' A' ' 70' ' ' HIS . . . -48.07 -64.7 0.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.099 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -132.92 153.46 51.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 63.8 m -139.79 129.82 24.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 77.8 mt -121.37 124.5 72.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.162 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.4 mttp -112.15 129.35 56.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 24.5 m -132.91 172.89 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.091 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -65.22 175.94 1.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.501 ' CE1' ' HG3' ' A' ' 79' ' ' LYS . 39.5 p90 -77.32 -39.85 46.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.501 ' HG3' ' CE1' ' A' ' 78' ' ' TYR . 52.2 mttt -44.45 -37.12 3.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.945 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -68.12 125.02 25.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.918 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.91 -11.7 16.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.444 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 4.1 p90 -155.87 158.86 38.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.943 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -138.87 128.79 25.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.942 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 80.1 m -94.29 100.89 12.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.158 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 44.3 mt -79.31 130.92 35.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -124.28 171.95 9.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 69.81 51.68 0.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 13.4 mt -120.36 175.43 5.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.938 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -100.85 122.65 48.27 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.657 0.741 . . . . 0.0 110.849 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 155.24 66.39 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.646 2.231 . . . . 0.0 112.344 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 27.1 t 60.5 51.76 5.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.814 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.4 m -153.78 144.64 22.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.431 ' CD2' ' N ' ' A' ' 94' ' ' TYR . 4.3 t-160 -81.4 131.06 35.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.486 ' CZ ' HD13 ' A' ' 66' ' ' ILE . 26.3 m-85 -126.25 130.93 51.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 83.7 t -94.16 111.37 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.136 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 3.0 mp -99.33 142.47 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.173 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 72.9 p -138.25 152.87 48.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.437 ' CD2' ' HB2' ' A' ' 47' ' ' TRP . 5.5 tp -143.18 137.22 28.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -140.53 140.07 35.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -85.51 136.58 33.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.066 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.487 ' CD1' ' C ' ' A' ' 101' ' ' PHE . 4.3 p90 -134.16 167.34 20.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 29.2 p-10 -170.73 177.47 3.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -49.94 -26.89 4.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 61.6 t -75.86 -43.83 39.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.081 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 160.92 -155.58 26.78 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.472 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -114.09 159.01 20.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.906 0.384 . . . . 0.0 110.874 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -106.77 -146.01 12.97 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.47 HD13 ' N ' ' A' ' 108' ' ' ILE . 0.0 OUTLIER -103.39 123.98 39.72 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.641 0.734 . . . . 0.0 111.102 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 163.7 37.31 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.671 2.248 . . . . 0.0 112.328 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.465 ' CD2' HG22 ' A' ' 30' ' ' VAL . 27.0 mt -111.64 163.65 13.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -118.58 108.15 14.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.471 ' HG3' ' CG2' ' A' ' 36' ' ' VAL . 4.9 tp10 -114.97 175.36 5.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 79.2 p -138.97 148.74 43.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.848 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -164.61 111.16 1.02 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.055 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 42.3 t -93.63 106.6 18.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 26.0 p -53.09 136.56 35.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.197 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 74.4 mtt-85 -66.57 148.97 98.49 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.591 0.71 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.189 0 C-N-CA 122.733 2.289 . . . . 0.0 112.345 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 t70 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.777 0.322 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.403 ' O ' ' CG2' ' A' ' 104' ' ' VAL . 9.1 tt0 -121.86 30.84 6.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.2 t -107.03 -18.99 13.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.178 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.0 ptt180 -125.98 147.69 49.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.3 m -76.61 142.75 70.85 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.663 0.744 . . . . 0.0 111.104 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 102.91 1.07 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.673 2.249 . . . . 0.0 112.343 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 30' ' ' VAL . 2.4 pt-20 -58.95 176.12 0.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.852 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.436 ' C ' ' O ' ' A' ' 29' ' ' GLU . 2.6 p -34.98 134.47 0.43 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.66 0.743 . . . . 0.0 111.106 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 179.32 3.77 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.702 2.268 . . . . 0.0 112.379 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.3 m -52.82 -48.34 67.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.832 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 74.6 p -174.46 -175.06 0.91 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.1 tp -150.87 124.92 9.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.935 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -112.95 139.29 48.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.7 m -135.47 141.4 42.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.163 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.1 ttm180 -122.13 109.95 33.14 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.578 0.704 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 114.81 3.83 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.67 2.246 . . . . 0.0 112.365 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.485 ' O ' ' C ' ' A' ' 40' ' ' VAL . 6.1 mp -109.02 154.52 22.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.485 ' C ' ' O ' ' A' ' 39' ' ' LEU . 85.8 t -30.57 -75.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 73.9 p -114.6 25.53 10.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.487 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 0.5 OUTLIER -151.75 -178.04 6.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.851 -179.863 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.487 ' CG1' ' O ' ' A' ' 42' ' ' SER . 36.9 mt -160.02 110.02 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.148 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 98.2 t -75.71 97.58 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.8 t -87.69 100.17 9.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.151 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.3 t -107.82 125.69 51.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.448 ' CZ3' HD12 ' A' ' 62' ' ' ILE . 47.0 p90 -124.24 -177.17 3.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.8 p -144.67 149.95 45.24 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.614 0.721 . . . . 0.0 111.114 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 161.66 45.07 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.683 2.255 . . . . 0.0 112.363 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.498 ' O ' ' N ' ' A' ' 52' ' ' ASN . 53.9 Cg_endo -69.69 121.45 8.16 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.661 2.241 . . . . 0.0 112.343 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 50' ' ' PRO . 4.3 mt-10 -35.07 -32.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.498 ' N ' ' O ' ' A' ' 50' ' ' PRO . 36.0 t-20 -86.56 88.98 7.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 54' ' ' ASN . 22.4 mm-40 -64.78 -38.64 91.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 53' ' ' GLN . 1.2 m-20 -35.09 -39.42 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 13.9 mt -71.7 126.76 32.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 71.6 t -66.65 142.17 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.105 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 85.9 t -141.27 119.88 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -89.44 -35.05 16.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.512 ' C ' ' CD1' ' A' ' 60' ' ' TYR . . . -179.03 -162.44 28.38 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.451 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.512 ' CD1' ' C ' ' A' ' 59' ' ' GLY . 2.5 m-85 -146.84 167.31 24.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.893 0.377 . . . . 0.0 110.907 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -121.35 132.85 55.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.091 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.448 HD12 ' CZ3' ' A' ' 47' ' ' TRP . 26.3 mt -114.13 120.96 65.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.127 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -115.93 129.86 8.74 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 24.6 p90 -132.08 150.53 52.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.936 0.398 . . . . 0.0 110.891 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 172.3 139.4 2.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.463 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 60.5 mt -56.97 100.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.88 0.372 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.24 -49.49 4.22 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.496 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 64.0 p -113.74 115.17 46.55 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.671 0.748 . . . . 0.0 110.858 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -4.95 15.01 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.692 2.261 . . . . 0.0 112.364 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 66.3 m-70 -86.7 39.17 0.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -103.45 -51.13 3.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.073 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.5 mp0 -136.78 157.93 45.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.7 m -137.02 133.95 36.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.147 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.417 HG23 ' CZ ' ' A' ' 83' ' ' TYR . 33.2 mt -120.56 120.84 63.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.14 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 46.8 mttt -103.99 138.5 40.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 34.4 m -145.18 -175.01 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.136 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.436 ' CB ' ' OE1' ' A' ' 80' ' ' GLN . 7.4 t0 -95.75 168.09 10.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -60.92 -36.7 79.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.947 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 20.1 mmtp -52.08 -43.19 63.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.436 ' OE1' ' CB ' ' A' ' 77' ' ' ASP . 2.7 mp0 -57.1 121.06 9.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.12 -35.46 11.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.416 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 6.4 p90 -142.64 167.18 22.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.417 ' CZ ' HG23 ' A' ' 74' ' ' ILE . 19.7 t80 -138.07 133.07 33.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.95 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 85.5 m -101.69 95.55 6.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 21.6 mt -76.7 111.95 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -104.65 174.33 5.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 67.01 48.93 1.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 84.7 mt -115.95 164.36 14.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.19 122.41 66.39 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.611 0.719 . . . . 0.0 110.885 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 166.24 28.27 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.667 2.245 . . . . 0.0 112.367 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.7 m 53.92 48.99 20.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.839 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 41.3 m -153.36 150.23 28.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.407 ' CD2' ' N ' ' A' ' 94' ' ' TYR . 6.1 t-160 -90.82 131.53 36.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.826 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.407 ' N ' ' CD2' ' A' ' 93' ' ' HIS . 31.4 m-85 -123.57 130.06 52.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.952 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 61.0 t -91.91 111.55 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.124 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.1 mp -98.5 137.88 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.09 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 80.6 p -135.01 145.92 48.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.131 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.425 ' CD2' ' HB2' ' A' ' 47' ' ' TRP . 4.5 tp -139.27 137.01 35.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.967 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -139.34 129.74 25.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.16 120.99 24.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.106 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.555 ' CD1' ' C ' ' A' ' 101' ' ' PHE . 1.2 p90 -124.74 146.59 49.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.836 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 48.7 p-10 -141.16 -176.02 4.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -44.96 -41.66 7.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.403 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 98.2 t -69.33 -50.05 55.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 162.06 -165.75 36.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.491 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.521 ' HB3' ' CB ' ' A' ' 101' ' ' PHE . 1.6 pm0 -118.54 158.51 25.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.871 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -101.11 -127.94 6.24 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.558 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.414 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -105.59 130.04 23.69 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.657 0.741 . . . . 0.0 111.126 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 175.56 7.95 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.691 2.261 . . . . 0.0 112.317 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 9.9 mt -109.19 174.4 5.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -136.26 118.25 15.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -129.86 170.73 13.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 17.8 p -134.54 137.73 44.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -150.79 123.53 8.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 96.0 t -106.86 102.52 14.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.115 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 17.7 p -48.76 139.18 10.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -66.84 154.14 92.61 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.627 0.727 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.176 0 C-N-CA 122.711 2.274 . . . . 0.0 112.329 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.77 0.319 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -132.39 35.7 3.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.2 t -106.51 -20.46 13.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.16 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -131.34 153.75 49.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.47 ' N ' HG12 ' A' ' 104' ' ' VAL . 24.2 m -71.94 147.97 91.65 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.658 0.742 . . . . 0.0 111.09 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 116.47 4.58 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.658 2.238 . . . . 0.0 112.321 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 30' ' ' VAL . 12.2 pt-20 -65.99 164.44 15.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.477 ' CG2' ' HD2' ' A' ' 31' ' ' PRO . 4.9 p -34.74 138.76 0.33 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.64 0.733 . . . . 0.0 111.116 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 30' ' ' VAL . 53.5 Cg_endo -69.78 171.4 14.55 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.1 p -52.58 -50.16 63.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -172.28 175.73 3.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.1 tp -147.43 114.46 6.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -104.13 147.44 27.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.5 m -136.04 135.72 50.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.8 107.84 43.7 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.629 0.728 . . . . 0.0 110.857 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 121.96 8.63 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.681 2.254 . . . . 0.0 112.326 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.485 ' O ' ' C ' ' A' ' 40' ' ' VAL . 2.9 mp -116.2 154.22 30.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.938 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.485 ' C ' ' O ' ' A' ' 39' ' ' LEU . 68.0 t -30.6 -74.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 36.0 p -116.0 26.15 10.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.495 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 3.7 p -151.36 -178.03 6.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.495 ' CG1' ' O ' ' A' ' 42' ' ' SER . 21.3 mt -160.5 118.32 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.114 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 74.2 t -85.98 103.41 12.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.14 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 67.7 t -97.55 101.33 12.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.8 t -102.15 139.62 37.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.566 ' CZ3' HD12 ' A' ' 62' ' ' ILE . 41.9 p90 -142.88 159.29 42.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 39.7 p -126.83 151.17 73.31 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.564 0.697 . . . . 0.0 111.117 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 163.81 36.83 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.661 2.241 . . . . 0.0 112.381 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 51' ' ' GLU . 53.5 Cg_endo -69.81 130.9 20.08 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.691 2.261 . . . . 0.0 112.357 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 50' ' ' PRO . 9.8 mt-10 -37.44 -47.15 0.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -74.72 85.15 2.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 54' ' ' ASN . 10.9 mm-40 -58.94 -33.71 70.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 53' ' ' GLN . 16.6 m120 -36.48 -41.35 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 43.6 mt -67.45 119.07 12.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.135 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.2 t -67.17 107.69 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.424 HG11 ' CZ ' ' A' ' 60' ' ' TYR . 61.2 t -105.09 108.35 24.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.143 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.42 ' HB3' ' NH1' ' A' ' 58' ' ' ARG . 4.4 mmm180 -71.44 -53.73 13.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.448 ' C ' ' CE2' ' A' ' 101' ' ' PHE . . . -166.31 -176.98 37.99 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.476 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.424 ' CZ ' HG11 ' A' ' 57' ' ' VAL . 3.3 m-85 -129.48 163.52 25.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.884 0.373 . . . . 0.0 110.892 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.67 126.72 53.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.104 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.566 HD12 ' CZ3' ' A' ' 47' ' ' TRP . 18.8 mt -108.01 122.11 61.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -115.24 119.68 4.7 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.504 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.475 ' CG ' HD11 ' A' ' 85' ' ' ILE . 17.6 p90 -126.58 148.89 49.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.892 0.377 . . . . 0.0 110.905 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 171.95 155.54 11.12 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.563 ' CD1' ' CZ ' ' A' ' 94' ' ' TYR . 30.4 mm -58.1 112.64 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.12 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.48 23.79 0.34 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.51 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.417 ' HB3' ' NE2' ' A' ' 70' ' ' HIS . 73.2 m -167.41 109.34 0.61 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.651 0.739 . . . . 0.0 110.837 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -15.02 36.72 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.68 2.253 . . . . 0.0 112.317 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.417 ' NE2' ' HB3' ' A' ' 68' ' ' SER . 21.0 p80 -80.26 42.81 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -112.64 -39.32 4.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -149.04 159.27 44.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.962 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 34.3 m -140.79 139.66 34.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.097 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.48 HD13 ' CE1' ' A' ' 83' ' ' TYR . 80.6 mt -132.08 107.96 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.165 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -93.61 111.74 23.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 28.2 m -117.7 170.73 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.158 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -79.38 162.08 25.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.824 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.49 ' CZ ' ' HE3' ' A' ' 79' ' ' LYS . 35.1 p90 -52.22 -51.2 59.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.49 ' HE3' ' CZ ' ' A' ' 78' ' ' TYR . 32.4 mttt -35.41 -55.42 0.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.916 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 44.1 mm-40 -44.85 107.29 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.63 -38.65 33.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.524 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 16.3 p90 -143.92 170.16 16.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.48 ' CE1' HD13 ' A' ' 74' ' ' ILE . 27.2 t80 -140.22 131.04 25.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.937 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 58.4 m -103.61 106.36 16.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.475 HD11 ' CG ' ' A' ' 64' ' ' TYR . 59.6 mt -79.97 123.01 36.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.433 ' C ' ' CG ' ' A' ' 87' ' ' ASN . 29.3 mt-10 -109.89 -174.93 2.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.433 ' CG ' ' C ' ' A' ' 86' ' ' GLU . 0.3 OUTLIER 47.88 48.04 18.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 22.0 mt -105.19 172.4 6.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -100.97 115.07 65.75 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.585 0.707 . . . . 0.0 110.856 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 162.35 42.44 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.692 2.261 . . . . 0.0 112.352 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.5 m 59.94 48.13 9.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.5 m -156.59 151.13 25.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.889 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.417 ' CD2' ' N ' ' A' ' 94' ' ' TYR . 4.0 t-160 -86.02 130.57 34.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.824 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.563 ' CZ ' ' CD1' ' A' ' 66' ' ' ILE . 16.0 m-85 -123.98 133.4 53.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 87.6 t -101.86 128.64 54.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.156 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.464 HG22 ' N ' ' A' ' 97' ' ' THR . 4.1 mp -112.98 142.38 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.16 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.464 ' N ' HG22 ' A' ' 96' ' ' ILE . 80.7 p -140.64 135.3 31.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.441 HD23 ' CB ' ' A' ' 47' ' ' TRP . 7.3 tp -127.45 136.32 51.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -139.16 135.44 34.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -81.11 132.3 35.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.104 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.453 ' CD1' ' C ' ' A' ' 101' ' ' PHE . 6.6 p90 -133.16 151.48 51.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -157.23 -176.06 5.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -48.76 -43.88 38.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.47 HG12 ' N ' ' A' ' 27' ' ' VAL . 62.6 t -60.9 -48.1 90.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.461 ' N ' HG13 ' A' ' 27' ' ' VAL . . . 163.02 -158.19 30.44 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -105.08 161.46 14.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.905 0.384 . . . . 0.0 110.855 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -107.74 -143.88 11.03 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.522 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.419 HD11 ' N ' ' A' ' 108' ' ' ILE . 0.0 OUTLIER -103.91 121.84 46.51 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.584 0.707 . . . . 0.0 111.139 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 160.41 49.81 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.693 2.262 . . . . 0.0 112.356 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 9.2 mt -109.74 165.25 11.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.452 ' O ' ' CD ' ' A' ' 112' ' ' GLU . 7.7 m-85 -121.85 123.42 41.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.452 ' CD ' ' O ' ' A' ' 111' ' ' TYR . 0.2 OUTLIER -132.5 167.42 20.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.935 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.1 m -142.26 143.57 32.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -155.63 120.27 4.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.096 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 61.2 t -97.86 106.55 18.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.0 p -49.67 140.36 11.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -71.79 155.02 92.67 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.602 0.715 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.184 0 C-N-CA 122.707 2.272 . . . . 0.0 112.33 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 t0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.738 0.304 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.434 ' CG ' ' OD1' ' A' ' 103' ' ' ASN . 64.8 tt0 -127.42 37.54 4.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 59.4 p -111.87 -16.09 13.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.7 ptt-85 -133.2 157.41 45.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.455 HG11 ' N ' ' A' ' 105' ' ' GLY . 21.1 m -70.93 152.88 94.96 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.673 0.749 . . . . 0.0 111.087 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 105.54 1.49 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.631 2.221 . . . . 0.0 112.402 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 30' ' ' VAL . 9.1 mt-10 -52.75 153.56 3.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.886 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.47 ' CG2' ' HD2' ' A' ' 31' ' ' PRO . 5.7 p -33.45 138.62 0.26 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.643 0.735 . . . . 0.0 111.128 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.47 ' HD2' ' CG2' ' A' ' 30' ' ' VAL . 53.5 Cg_endo -69.76 171.42 14.49 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.251 . . . . 0.0 112.307 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.2 m -53.24 -47.52 68.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.7 t -174.56 -175.38 0.93 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.846 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.3 tp -149.77 114.07 5.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.628 ' C ' ' CD2' ' A' ' 35' ' ' HIS . 0.2 OUTLIER -99.0 148.13 24.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.861 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.516 ' N ' ' CD2' ' A' ' 35' ' ' HIS . 5.5 m -141.33 145.43 24.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.7 ttt85 -129.01 107.94 18.09 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.591 0.71 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 123.52 10.2 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.664 2.243 . . . . 0.0 112.374 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.47 ' O ' ' C ' ' A' ' 40' ' ' VAL . 4.6 mp -116.14 154.33 30.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.47 ' C ' ' O ' ' A' ' 39' ' ' LEU . 99.0 t -31.6 -70.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 35.8 p -118.8 22.21 12.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.493 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 0.8 OUTLIER -146.82 -177.98 5.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.814 -179.845 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.493 ' CG1' ' O ' ' A' ' 42' ' ' SER . 23.3 mt -160.16 106.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.106 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.7 t -79.36 97.69 2.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.112 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.7 t -86.02 103.28 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.115 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -108.55 122.47 47.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.51 ' CG ' HD22 ' A' ' 98' ' ' LEU . 43.2 p90 -122.63 -175.71 3.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.943 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.95 154.86 68.9 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.572 0.701 . . . . 0.0 111.102 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 156.72 62.61 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.658 2.239 . . . . 0.0 112.326 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.475 ' O ' ' N ' ' A' ' 52' ' ' ASN . 53.1 Cg_endo -69.87 123.28 9.91 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.675 2.25 . . . . 0.0 112.336 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 50' ' ' PRO . 21.2 mt-10 -36.75 -30.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' A' ' 50' ' ' PRO . 18.0 t-20 -88.12 101.03 13.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.62 -34.05 35.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -38.97 -35.69 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 31.1 mt -75.98 146.23 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.164 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.7 t -92.4 141.22 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.201 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.5 t -137.58 132.14 44.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -107.36 22.13 16.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 126.5 179.61 15.84 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.493 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.417 ' CE1' ' HA ' ' A' ' 78' ' ' TYR . 2.8 m-85 -129.65 162.77 27.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.896 0.379 . . . . 0.0 110.9 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -115.07 110.61 19.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.11 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 34.0 mt -91.45 132.08 36.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.141 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -130.52 119.94 2.88 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.529 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.444 ' CZ ' ' HB2' ' A' ' 72' ' ' GLN . 6.0 p90 -120.69 159.27 25.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.926 0.393 . . . . 0.0 110.938 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 159.85 129.16 1.02 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.433 HG13 ' CE2' ' A' ' 94' ' ' TYR . 17.7 mt -51.92 110.82 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 111.105 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.15 -53.84 4.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.475 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.7 m -122.57 121.11 27.67 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.661 0.743 . . . . 0.0 110.865 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -3.3 11.76 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.682 2.255 . . . . 0.0 112.335 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 -77.64 47.54 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -114.93 -54.71 2.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.067 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.444 ' HB2' ' CZ ' ' A' ' 64' ' ' TYR . 3.3 mp0 -139.67 154.11 47.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.1 m -136.05 128.37 30.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 86.3 mt -118.36 114.54 45.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.084 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.451 ' HD2' ' CE2' ' A' ' 101' ' ' PHE . 26.6 mmtm -99.01 119.34 37.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.8 m -129.28 147.97 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.1 p30 -48.14 150.92 1.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.473 ' CD1' ' N ' ' A' ' 79' ' ' LYS . 32.0 p90 -52.93 -44.36 66.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.958 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.473 ' N ' ' CD1' ' A' ' 78' ' ' TYR . 30.1 mtpt -41.03 -47.57 3.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.923 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -48.68 121.29 4.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -90.47 -36.63 14.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.507 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 55.9 p90 -145.07 167.04 23.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.951 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -140.43 144.36 36.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.973 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 78.8 m -106.53 106.89 17.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.145 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 35.2 mt -89.16 111.6 23.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -107.89 173.98 6.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 24.3 m-20 71.22 43.95 0.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.401 ' CD1' HG13 ' A' ' 43' ' ' ILE . 30.9 mt -112.24 174.01 6.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -98.24 120.97 58.44 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.591 0.71 . . . . 0.0 110.859 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 153.59 68.34 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.66 2.24 . . . . 0.0 112.338 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.4 t 65.71 48.48 1.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.845 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.3 m -156.81 139.5 15.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -81.46 132.56 35.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.841 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.433 ' CE2' HG13 ' A' ' 66' ' ' ILE . 41.1 m-85 -125.84 122.96 37.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 59.7 t -83.45 110.44 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.111 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.433 HG23 ' N ' ' A' ' 97' ' ' THR . 4.5 mp -98.8 141.47 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.143 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.433 ' N ' HG23 ' A' ' 96' ' ' ILE . 32.4 p -133.46 151.25 51.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.121 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.51 HD22 ' CG ' ' A' ' 47' ' ' TRP . 5.3 tp -142.98 136.95 28.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -150.37 135.48 17.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -81.71 147.84 29.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.076 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.451 ' CE2' ' HD2' ' A' ' 75' ' ' LYS . 16.2 p90 -142.76 151.67 41.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 47.6 p-10 -147.34 -176.77 5.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.434 ' OD1' ' CG ' ' A' ' 24' ' ' GLU . 8.4 p-10 -45.97 -38.5 7.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 74.0 t -71.7 -48.19 53.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.119 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.455 ' N ' HG11 ' A' ' 27' ' ' VAL . . . 159.21 -160.94 31.69 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -112.53 160.83 17.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.902 0.382 . . . . 0.0 110.897 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -103.71 -136.14 8.85 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.441 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 1.3 mm -98.44 126.64 38.72 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.644 0.735 . . . . 0.0 111.139 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -176.29 1.43 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.707 2.271 . . . . 0.0 112.38 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 80.8 mt -131.22 150.26 52.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -108.86 134.41 51.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -140.52 178.26 7.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 78.6 p -141.46 137.76 32.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -149.59 119.12 6.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 99.8 t -104.43 103.66 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 16.6 p -52.13 139.98 22.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.155 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -65.85 155.3 86.94 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.588 0.709 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.202 0 C-N-CA 122.672 2.248 . . . . 0.0 112.386 179.946 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.79 0.328 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -117.79 29.03 8.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.4 p -104.48 -10.09 17.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.082 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -124.65 170.49 10.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.847 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.6 m -99.52 145.98 31.01 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.622 0.725 . . . . 0.0 111.161 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 102.18 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 30' ' ' VAL . 1.7 pp20? -56.99 169.02 0.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.467 ' CG2' ' HD2' ' A' ' 31' ' ' PRO . 4.3 p -34.06 138.77 0.3 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.57 0.7 . . . . 0.0 111.191 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.467 ' HD2' ' CG2' ' A' ' 30' ' ' VAL . 53.1 Cg_endo -69.76 173.24 11.26 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.695 2.263 . . . . 0.0 112.322 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.2 m -53.65 -45.01 70.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 m -174.67 -177.92 1.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.823 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.6 tp -153.21 116.23 4.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.964 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -102.82 148.48 25.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.808 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.3 m -139.96 139.21 37.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 55.3 ttt180 -125.48 109.69 26.14 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.59 0.71 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.65 129.23 17.36 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.69 2.26 . . . . 0.0 112.372 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.483 ' O ' ' C ' ' A' ' 40' ' ' VAL . 4.4 mp -120.43 154.21 35.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.483 ' C ' ' O ' ' A' ' 39' ' ' LEU . 58.0 t -30.63 -69.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.3 p -120.9 22.6 11.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.165 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.401 ' C ' ' HB2' ' A' ' 39' ' ' LEU . 6.4 p -145.69 -179.35 6.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.829 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.4 ' CG1' ' O ' ' A' ' 42' ' ' SER . 46.8 mt -157.12 106.7 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.134 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 87.8 t -78.92 97.69 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.4 t -90.58 100.84 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.0 t -106.42 126.38 52.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.452 ' CB ' HD22 ' A' ' 98' ' ' LEU . 47.2 p90 -124.68 -174.99 3.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.961 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.78 158.59 56.07 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.587 0.708 . . . . 0.0 111.126 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 166.55 27.16 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.705 2.27 . . . . 0.0 112.343 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.422 ' O ' ' N ' ' A' ' 52' ' ' ASN . 54.6 Cg_endo -69.72 134.35 27.84 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.636 2.224 . . . . 0.0 112.373 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -38.33 -31.02 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.554 ' CG ' ' ND2' ' A' ' 54' ' ' ASN . 9.7 t-20 -95.81 162.27 13.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.893 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.506 ' O ' ' N ' ' A' ' 55' ' ' ILE . 17.5 mm100 -125.24 -42.67 1.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.592 ' N ' HD21 ' A' ' 54' ' ' ASN . 0.0 OUTLIER -36.75 -29.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.506 ' N ' ' O ' ' A' ' 53' ' ' GLN . 59.3 mt -77.79 137.48 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.412 ' N ' HG21 ' A' ' 55' ' ' ILE . 81.7 t -78.21 130.13 36.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.116 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.0 t -124.4 125.83 70.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -96.84 -39.23 9.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 179.66 -160.72 26.12 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.468 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.422 ' CE2' ' HA ' ' A' ' 78' ' ' TYR . 1.2 m-85 -146.36 152.46 39.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.862 0.363 . . . . 0.0 110.934 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -105.23 124.94 50.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 22.3 mt -106.77 116.52 50.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -114.13 129.41 8.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.508 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 48.7 p90 -136.31 164.04 29.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.925 0.393 . . . . 0.0 110.955 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 150.17 161.93 10.2 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.521 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.427 HD13 ' CZ ' ' A' ' 94' ' ' TYR . 46.5 mm -73.23 114.23 12.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.829 0.347 . . . . 0.0 111.152 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.56 -55.41 3.1 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.539 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 72.8 m -137.12 144.59 46.68 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.651 0.739 . . . . 0.0 110.88 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 70' ' ' HIS . 53.5 Cg_endo -69.72 -32.07 19.46 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.674 2.25 . . . . 0.0 112.333 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.422 ' C ' ' O ' ' A' ' 69' ' ' PRO . 52.2 m-70 -36.19 -35.6 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 70' ' ' HIS . . . -36.37 -60.39 0.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.0 mp0 -135.13 151.72 50.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 87.2 m -142.87 135.55 27.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.125 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 45.3 mt -122.12 136.64 58.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.168 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.478 ' HD2' ' CZ ' ' A' ' 101' ' ' PHE . 17.7 mmtp -119.3 125.29 48.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.7 m -137.78 167.01 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.091 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -67.67 174.97 3.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.493 ' CE1' ' HD2' ' A' ' 79' ' ' LYS . 16.0 p90 -71.02 -35.93 72.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.973 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.493 ' HD2' ' CE1' ' A' ' 78' ' ' TYR . 0.2 OUTLIER -44.31 -49.84 9.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.892 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -51.69 115.66 1.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.87 -29.45 18.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 14.5 p90 -149.71 162.82 39.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -137.2 132.15 33.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 92.1 m -98.15 102.46 14.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.162 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 45.0 mt -83.05 111.99 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -111.08 176.79 4.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 68.46 46.7 1.0 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 92.4 mt -115.04 177.17 4.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -103.31 122.02 46.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.581 0.705 . . . . 0.0 110.853 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 148.56 64.89 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.7 2.267 . . . . 0.0 112.332 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.9 t 74.47 42.88 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 68.6 m -148.3 156.53 42.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -99.84 124.35 45.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.427 ' CZ ' HD13 ' A' ' 66' ' ' ILE . 69.5 m-85 -116.71 125.74 52.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 84.6 t -86.74 107.47 16.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.8 mp -95.31 136.37 26.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 41.5 p -128.36 160.51 31.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.163 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.452 HD22 ' CB ' ' A' ' 47' ' ' TRP . 10.1 tp -149.69 132.15 15.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -141.84 132.88 26.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.88 128.31 36.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.078 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.478 ' CZ ' ' HD2' ' A' ' 75' ' ' LYS . 25.7 p90 -136.32 143.8 44.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 52.5 p-10 -130.77 -175.25 3.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -43.98 -34.24 1.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 26.2 t -71.15 -46.37 66.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 158.64 -167.84 34.74 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.08 161.05 14.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.879 0.371 . . . . 0.0 110.918 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -107.38 -130.94 6.51 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -106.72 123.98 36.93 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.619 0.723 . . . . 0.0 111.146 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 167.9 23.1 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.684 2.256 . . . . 0.0 112.361 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 19.9 mt -109.64 179.81 4.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -141.37 126.57 18.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -135.69 -177.62 4.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 44.4 p -141.94 138.92 32.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -151.13 111.48 4.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.109 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 96.2 t -102.21 101.7 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 38.5 p -51.2 130.35 26.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 89.1 mtt-85 -56.14 153.39 18.6 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.64 0.733 . . . . 0.0 110.823 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.192 0 C-N-CA 122.652 2.235 . . . . 0.0 112.366 179.965 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.7 t0 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.799 0.333 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -125.29 31.3 5.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 57.5 p -104.91 -15.73 15.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.147 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.444 ' NH2' ' OE1' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -131.25 157.23 43.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.467 HG12 ' N ' ' A' ' 106' ' ' GLU . 20.1 m -70.93 148.45 94.59 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.65 0.738 . . . . 0.0 111.161 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.424 ' HG2' ' C ' ' A' ' 100' ' ' ALA . 53.3 Cg_endo -69.76 99.56 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.711 2.274 . . . . 0.0 112.355 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -51.28 161.69 0.41 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.893 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.475 ' CG2' ' HD2' ' A' ' 31' ' ' PRO . 4.9 p -33.94 139.0 0.28 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.607 0.718 . . . . 0.0 111.142 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 30' ' ' VAL . 53.6 Cg_endo -69.76 178.36 4.65 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.663 2.242 . . . . 0.0 112.353 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.0 t -58.43 -44.44 89.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.818 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 58.9 p -175.3 177.37 1.87 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 tp -141.98 128.96 20.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.637 ' C ' ' CD2' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -117.86 144.83 45.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.863 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.432 ' N ' ' CD2' ' A' ' 35' ' ' HIS . 16.1 m -143.87 135.66 22.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.084 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -117.6 109.84 41.3 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.6 0.714 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 124.77 11.44 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.726 2.284 . . . . 0.0 112.355 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.474 ' O ' ' C ' ' A' ' 40' ' ' VAL . 4.4 mp -118.76 154.41 32.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.474 ' C ' ' O ' ' A' ' 39' ' ' LEU . 18.9 t -31.45 -71.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.6 p -117.73 24.44 11.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.407 ' C ' HG13 ' A' ' 43' ' ' ILE . 22.9 p -148.19 178.68 8.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.407 HG13 ' C ' ' A' ' 42' ' ' SER . 65.1 mt -156.96 105.03 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 95.5 t -76.89 100.01 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.103 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.3 t -89.84 109.61 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.129 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.544 ' OG ' ' CD2' ' A' ' 35' ' ' HIS . 2.7 p -113.14 117.31 31.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.477 ' CZ3' HD12 ' A' ' 62' ' ' ILE . 47.1 p90 -117.81 172.87 7.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 40.3 p -133.29 153.47 80.63 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.581 0.705 . . . . 0.0 111.116 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 163.21 39.14 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 51' ' ' GLU . 54.0 Cg_endo -69.76 123.7 10.36 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.668 2.245 . . . . 0.0 112.357 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -34.54 -36.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 50' ' ' PRO . 28.2 t-20 -91.0 84.41 5.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.924 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -60.63 -36.21 78.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -38.63 -32.64 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.415 HD11 ' CG ' ' A' ' 52' ' ' ASN . 21.2 mt -75.94 131.3 35.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 93.6 t -67.19 135.98 27.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.183 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.8 t -134.15 102.66 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.425 ' HB3' ' NH1' ' A' ' 58' ' ' ARG . 4.3 mmm180 -69.48 -35.55 75.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 176.58 -171.79 44.75 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.462 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -131.27 156.7 44.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.896 0.379 . . . . 0.0 110.945 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -119.08 118.6 31.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.062 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.477 HD12 ' CZ3' ' A' ' 47' ' ' TRP . 68.7 mt -98.9 146.97 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.132 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.449 ' N ' HG23 ' A' ' 62' ' ' ILE . . . -136.35 138.46 9.88 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.466 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -144.94 167.34 22.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.902 0.382 . . . . 0.0 110.918 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 155.78 162.27 11.23 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.5 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.543 ' CD1' ' CZ ' ' A' ' 94' ' ' TYR . 34.1 mm -79.75 98.75 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.901 0.382 . . . . 0.0 111.132 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.4 -40.51 2.4 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.442 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.4 m -147.13 141.35 15.8 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.682 0.754 . . . . 0.0 110.848 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.482 ' O ' ' N ' ' A' ' 71' ' ' ALA . 53.3 Cg_endo -69.77 -40.05 5.77 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.68 2.253 . . . . 0.0 112.353 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.419 ' C ' ' O ' ' A' ' 69' ' ' PRO . 37.9 m-70 -36.85 -29.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 69' ' ' PRO . . . -42.74 -60.66 1.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.067 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -131.78 153.55 50.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 36.6 m -142.92 134.36 26.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.105 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 69.8 mt -122.89 131.36 73.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.8 mttm -117.87 112.98 21.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 34.3 m -117.49 173.66 4.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.084 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -68.15 150.12 48.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 49.3 p90 -54.8 -48.82 72.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 59.7 mttt -37.96 -43.88 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.947 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -54.28 117.26 3.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -85.29 -32.85 22.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.463 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 7.3 p90 -147.01 167.99 22.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -139.81 144.05 37.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 90.4 m -110.64 104.15 12.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.146 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 33.4 mt -87.33 114.2 25.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.105 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -106.85 -179.17 3.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.879 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 60.81 50.51 5.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 33.6 mt -123.36 156.06 36.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -79.26 121.23 82.77 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.553 0.692 . . . . 0.0 110.879 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 179.14 3.9 Favored 'Trans proline' 0 C--N 1.34 0.114 0 C-N-CA 122.677 2.251 . . . . 0.0 112.326 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.5 p 42.24 51.37 4.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.847 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.3 m -151.51 141.37 21.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -81.03 122.84 27.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.543 ' CZ ' ' CD1' ' A' ' 66' ' ' ILE . 21.4 m-85 -117.22 135.06 54.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.944 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 98.4 t -98.34 106.62 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.425 HG22 ' N ' ' A' ' 97' ' ' THR . 3.2 mp -95.12 138.46 20.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.425 ' N ' HG22 ' A' ' 96' ' ' ILE . 66.4 p -135.37 157.7 46.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.089 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.439 ' CD2' ' HB2' ' A' ' 47' ' ' TRP . 9.3 tp -144.83 132.94 21.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -135.69 133.75 38.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.424 ' C ' ' HG2' ' A' ' 28' ' ' PRO . . . -85.71 128.97 34.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.091 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -130.95 154.46 48.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.414 ' CG ' ' HD3' ' A' ' 28' ' ' PRO . 26.8 p-10 -152.01 -175.03 5.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -49.42 -38.55 29.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 39.0 t -61.99 -49.78 82.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 170.68 -133.03 2.65 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.448 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.467 ' N ' HG12 ' A' ' 27' ' ' VAL . 49.2 mt-10 -129.15 155.66 45.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.887 0.375 . . . . 0.0 110.891 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -102.79 -150.82 22.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.465 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.442 HD11 ' N ' ' A' ' 108' ' ' ILE . 0.0 OUTLIER -101.88 126.2 34.62 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.629 0.728 . . . . 0.0 111.12 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 166.18 28.43 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.337 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 10.1 mt -108.96 179.12 4.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -140.25 114.52 9.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -129.4 175.53 8.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.6 p -133.0 140.17 47.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -150.04 111.48 4.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.085 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 57.8 t -98.46 106.8 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.131 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 58.2 p -49.82 125.46 11.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.137 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -44.63 153.42 0.47 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.575 0.703 . . . . 0.0 110.848 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.209 0 C-N-CA 122.703 2.268 . . . . 0.0 112.316 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.767 0.318 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.449 ' CD ' ' O ' ' A' ' 24' ' ' GLU . 5.5 tm-20 -128.15 33.85 4.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.4 p -99.57 -12.26 20.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.148 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -141.69 153.86 44.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.457 HG11 ' N ' ' A' ' 106' ' ' GLU . 33.1 m -71.09 151.8 94.78 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.624 0.726 . . . . 0.0 111.108 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 109.05 2.21 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.7 2.266 . . . . 0.0 112.316 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 30' ' ' VAL . 9.5 mt-10 -56.56 158.65 4.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.438 ' CG2' ' HD2' ' A' ' 31' ' ' PRO . 4.2 p -34.69 138.15 0.35 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.665 0.745 . . . . 0.0 111.095 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.438 ' HD2' ' CG2' ' A' ' 30' ' ' VAL . 54.3 Cg_endo -69.77 166.89 26.09 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.725 2.283 . . . . 0.0 112.339 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.5 p -48.31 -48.63 35.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.84 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 83.4 p -173.82 -176.02 1.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.6 tp -152.88 112.48 3.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -96.75 147.73 23.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.0 m -137.4 131.81 44.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -117.85 110.11 40.54 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.586 0.707 . . . . 0.0 110.854 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 128.08 15.47 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.32 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.493 ' O ' ' C ' ' A' ' 40' ' ' VAL . 2.7 mp -120.67 154.47 35.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.493 ' C ' ' O ' ' A' ' 39' ' ' LEU . 60.6 t -29.65 -71.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.2 p -119.71 24.94 10.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.125 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.424 ' C ' HG13 ' A' ' 43' ' ' ILE . 2.6 m -149.33 -178.76 6.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.424 HG13 ' C ' ' A' ' 42' ' ' SER . 60.5 mt -157.73 105.85 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 93.5 t -74.47 96.03 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.9 t -86.24 100.11 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.7 t -105.45 127.18 52.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.83 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.539 ' CZ3' HD11 ' A' ' 62' ' ' ILE . 44.1 p90 -128.28 -174.93 3.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -142.4 159.92 56.23 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.592 0.711 . . . . 0.0 111.145 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 161.35 46.26 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.402 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 51' ' ' GLU . 53.3 Cg_endo -69.78 129.09 16.97 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.64 2.227 . . . . 0.0 112.34 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 50' ' ' PRO . 2.0 tt0 -34.77 -40.45 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -91.86 106.43 18.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.957 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -77.55 -32.36 53.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -38.66 -43.09 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 56.4 mt -68.38 124.35 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 90.1 t -65.91 138.62 22.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.064 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.504 HG13 ' CZ ' ' A' ' 60' ' ' TYR . 96.7 t -130.03 107.82 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.089 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.495 ' NE ' ' OD1' ' A' ' 103' ' ' ASN . 18.6 mmt180 -74.55 -32.72 62.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 179.17 -169.7 41.07 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.493 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.504 ' CZ ' HG13 ' A' ' 57' ' ' VAL . 15.9 m-85 -135.68 152.09 50.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.844 0.355 . . . . 0.0 110.939 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -117.95 123.72 46.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.119 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.539 HD11 ' CZ3' ' A' ' 47' ' ' TRP . 42.9 mt -108.16 141.2 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.11 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.432 ' N ' HG23 ' A' ' 62' ' ' ILE . . . -135.35 121.54 2.58 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -116.0 170.93 8.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.951 0.405 . . . . 0.0 110.913 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 148.74 125.34 1.44 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.533 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.558 HG13 ' CE2' ' A' ' 94' ' ' TYR . 27.7 mt -47.91 118.03 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.857 0.36 . . . . 0.0 111.167 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.78 -58.66 2.59 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.46 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.3 m -116.2 119.47 36.57 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.666 0.745 . . . . 0.0 110.852 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 1.5 4.37 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.676 2.25 . . . . 0.0 112.325 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -81.87 44.4 0.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.834 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -107.75 -54.53 2.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.104 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -145.23 147.14 32.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.6 m -120.06 135.8 54.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 24.8 mt -129.25 108.5 16.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.143 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.9 mtmt -99.97 112.84 25.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.8 m -108.36 158.51 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.164 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -51.96 179.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 37.5 p90 -83.18 -22.43 33.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.935 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.0 mmtt -82.51 39.21 0.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.403 ' HA ' ' NE2' ' A' ' 80' ' ' GLN . 6.8 mm100 -126.07 122.29 35.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -91.43 -33.67 15.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.403 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 6.1 p90 -148.52 169.29 20.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -141.3 128.62 21.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 48.1 m -90.91 102.65 15.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.139 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 62.7 mt -85.61 105.69 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -103.25 174.44 5.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 74.53 45.0 0.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 56.0 mt -121.18 157.05 31.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -87.78 129.96 48.62 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.647 0.737 . . . . 0.0 110.841 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 145.62 57.8 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.719 2.279 . . . . 0.0 112.332 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.451 ' N ' ' OG1' ' A' ' 116' ' ' THR . 6.8 t 74.98 54.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.8 p -159.29 129.16 5.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -78.47 126.67 31.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.558 ' CE2' HG13 ' A' ' 66' ' ' ILE . 26.9 m-85 -117.19 138.03 51.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 99.8 t -95.58 101.87 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.14 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.452 HG23 ' N ' ' A' ' 97' ' ' THR . 4.5 mp -90.23 138.56 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.452 ' N ' HG23 ' A' ' 96' ' ' ILE . 35.7 p -132.81 154.19 50.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.443 HD21 ' CB ' ' A' ' 47' ' ' TRP . 4.6 tp -145.57 131.21 18.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.3 ptpt -134.91 133.35 39.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 107' ' ' GLY . . . -84.25 130.5 34.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.063 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -133.38 165.61 24.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 36.5 p-10 -165.19 -179.87 5.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.495 ' OD1' ' NE ' ' A' ' 58' ' ' ARG . 30.1 m120 -46.18 -34.07 4.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.447 ' CG2' ' OE2' ' A' ' 24' ' ' GLU . 30.1 t -65.95 -47.46 85.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.455 ' N ' HG12 ' A' ' 27' ' ' VAL . . . 171.69 -129.99 1.86 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.513 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.457 ' N ' HG11 ' A' ' 27' ' ' VAL . 20.4 mt-10 -131.5 167.53 19.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.88 0.371 . . . . 0.0 110.894 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 100' ' ' ALA . . . -115.94 -172.37 16.76 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.5 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 4.9 mm -84.64 125.55 71.03 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.649 0.738 . . . . 0.0 111.139 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 161.29 46.52 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.694 2.263 . . . . 0.0 112.333 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 45.8 mt -112.49 158.89 19.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.929 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -118.71 127.3 53.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.914 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -137.47 178.48 7.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.937 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 66.2 p -140.6 138.47 34.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -163.79 115.42 1.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.086 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -109.77 119.9 59.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.158 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.451 ' OG1' ' N ' ' A' ' 91' ' ' SER . 12.7 p -41.46 158.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.165 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 39.5 mtt-85 -88.35 159.18 47.93 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.621 0.724 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--N 1.342 0.191 0 C-N-CA 122.704 2.269 . . . . 0.0 112.36 179.992 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 CA--C 1.526 0.044 0 CA-C-O 120.769 0.318 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.454 ' O ' ' CG2' ' A' ' 104' ' ' VAL . 24.1 tt0 -112.83 23.58 13.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.4 p -99.16 -5.53 29.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.4 ptt180 -138.78 149.92 45.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.2 m -73.09 152.25 90.57 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.606 0.717 . . . . 0.0 111.157 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.42 ' HG2' ' C ' ' A' ' 100' ' ' ALA . 53.3 Cg_endo -69.79 119.68 6.59 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.631 2.221 . . . . 0.0 112.328 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 30' ' ' VAL . 9.6 mt-10 -70.45 165.53 22.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 29' ' ' GLU . 4.4 p -34.58 132.75 0.42 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.625 0.726 . . . . 0.0 111.101 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 170.98 15.34 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.4 t -49.14 -49.76 40.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.7 t -174.87 -177.07 1.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.876 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 tp -149.3 113.63 5.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.94 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -97.72 148.15 23.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.8 m -141.36 144.18 26.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.112 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.448 ' HG3' ' CD1' ' A' ' 39' ' ' LEU . 10.3 tpp180 -129.59 107.92 17.25 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.666 0.746 . . . . 0.0 110.85 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 127.67 14.94 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.694 2.263 . . . . 0.0 112.342 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.472 ' O ' ' C ' ' A' ' 40' ' ' VAL . 3.5 mp -122.18 154.55 37.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.472 ' C ' ' O ' ' A' ' 39' ' ' LEU . 11.3 t -31.58 -69.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.6 p -119.72 22.56 11.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.104 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.499 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 14.1 p -145.85 -179.94 7.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.499 ' CG1' ' O ' ' A' ' 42' ' ' SER . 23.5 mt -160.57 105.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.087 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.447 ' CG2' HD13 ' A' ' 39' ' ' LEU . 2.3 t -76.83 97.58 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 60.6 t -90.53 102.59 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.081 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.7 t -108.18 128.32 54.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.568 ' CZ3' HD11 ' A' ' 62' ' ' ILE . 46.1 p90 -126.2 -179.82 4.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.6 p -137.86 151.08 69.68 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.58 0.705 . . . . 0.0 111.093 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 157.74 59.26 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.659 2.239 . . . . 0.0 112.324 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.471 ' O ' ' N ' ' A' ' 52' ' ' ASN . 53.4 Cg_endo -69.78 118.06 5.46 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.683 2.256 . . . . 0.0 112.371 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 50' ' ' PRO . 34.0 mm-40 -38.08 -28.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.914 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 50' ' ' PRO . 11.9 t-20 -84.68 91.69 7.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.942 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -70.37 -31.54 68.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -42.27 -39.57 2.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 33.1 mt -77.14 117.78 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 35.8 t -66.88 131.84 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.124 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 58' ' ' ARG . 61.8 t -123.68 136.78 59.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.413 ' N ' HG12 ' A' ' 57' ' ' VAL . 16.0 mmt180 -100.44 -29.53 12.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.402 ' HA2' ' C ' ' A' ' 77' ' ' ASP . . . 174.14 -178.62 45.92 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.474 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.561 ' CE2' ' HA ' ' A' ' 78' ' ' TYR . 23.5 m-85 -127.92 164.57 21.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.856 0.36 . . . . 0.0 110.971 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -127.45 128.13 45.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.093 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.568 HD11 ' CZ3' ' A' ' 47' ' ' TRP . 15.9 mt -110.59 112.44 40.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.149 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -102.11 128.12 9.45 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.451 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 9.3 p90 -132.7 151.13 52.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.963 0.411 . . . . 0.0 110.923 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 165.31 137.13 2.13 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.482 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.7 mt -62.09 105.65 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.942 0.401 . . . . 0.0 111.09 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.99 -48.29 0.96 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.5 m -148.48 142.09 15.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.683 0.754 . . . . 0.0 110.869 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 71' ' ' ALA . 52.9 Cg_endo -69.86 -35.81 11.67 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.703 2.269 . . . . 0.0 112.317 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 71' ' ' ALA . 49.7 m-70 -41.76 -24.65 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 69' ' ' PRO . . . -35.88 -57.79 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -146.4 167.69 22.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 100.0 m -135.48 127.26 29.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.17 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 94.3 mt -111.77 107.93 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.104 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.525 ' HE3' ' CZ ' ' A' ' 101' ' ' PHE . 6.2 mtpp -110.48 137.86 47.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.42 ' O ' ' CG ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -132.5 -77.24 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.896 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.42 ' CG ' ' O ' ' A' ' 76' ' ' VAL . 3.8 m-20 -175.4 -175.35 0.8 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.561 ' HA ' ' CE2' ' A' ' 60' ' ' TYR . 45.0 p90 -84.31 -23.09 30.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.937 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -71.07 -44.48 65.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.886 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -50.62 125.15 12.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -97.03 -35.43 10.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -144.86 160.44 41.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -139.22 132.64 30.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 88.0 m -92.11 110.98 22.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.174 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 39.9 mt -89.44 106.58 17.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.402 ' C ' ' ND2' ' A' ' 87' ' ' ASN . 41.8 mt-10 -103.04 171.64 7.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.402 ' ND2' ' C ' ' A' ' 86' ' ' GLU . 5.6 m-80 74.96 41.81 0.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 14.0 mt -119.15 158.79 25.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -90.8 136.26 27.98 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.562 0.696 . . . . 0.0 110.889 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 168.7 20.87 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.656 2.237 . . . . 0.0 112.312 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.7 m 46.31 53.23 9.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.5 m -148.11 133.69 18.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 15.4 t-160 -83.59 130.26 34.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.833 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -124.64 142.29 51.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 57.2 t -102.02 111.68 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.15 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 3.8 mp -100.2 131.44 47.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.441 ' CG2' ' O ' ' A' ' 110' ' ' LEU . 40.4 p -131.54 120.33 22.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.435 ' CD2' ' HB2' ' A' ' 47' ' ' TRP . 9.7 tp -107.86 139.47 42.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -140.71 148.61 41.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.42 ' C ' ' HG2' ' A' ' 28' ' ' PRO . . . -97.14 129.04 44.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.525 ' CZ ' ' HE3' ' A' ' 75' ' ' LYS . 31.6 p90 -137.27 136.12 37.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 51.9 p-10 -125.37 -174.9 3.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -55.4 -23.88 27.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.853 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.454 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 61.3 t -77.19 -41.6 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.169 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 166.84 -153.68 23.56 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.472 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -107.77 179.92 4.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.911 0.386 . . . . 0.0 110.897 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -129.2 -144.92 5.8 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.486 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.467 ' N ' HD12 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -106.6 119.22 52.33 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.651 0.739 . . . . 0.0 111.098 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 164.22 35.36 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.662 2.241 . . . . 0.0 112.367 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.441 ' O ' ' CG2' ' A' ' 97' ' ' THR . 10.3 mt -109.09 -177.97 3.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.939 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -136.8 120.45 17.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -131.18 174.84 9.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 45.2 p -139.08 133.78 32.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -144.37 121.44 11.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 82.9 t -109.36 107.58 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 34.7 p -57.77 132.37 53.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.144 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 46.6 mtp180 -62.08 151.5 80.65 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.603 0.716 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.171 0 C-N-CA 122.708 2.272 . . . . 0.0 112.374 -179.972 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.74 0.305 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.492 ' O ' ' CG2' ' A' ' 104' ' ' VAL . 14.5 tt0 -123.97 28.31 6.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 65.7 p -101.07 -23.31 14.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.155 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.3 ptt-85 -120.5 145.67 47.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.445 HG13 ' CA ' ' A' ' 105' ' ' GLY . 11.5 m -76.91 148.38 78.84 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.636 0.731 . . . . 0.0 111.133 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 101.96 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.713 2.276 . . . . 0.0 112.327 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -56.62 177.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.5 p -38.0 130.55 0.96 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.617 0.723 . . . . 0.0 111.147 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.409 ' HG2' ' CD1' ' A' ' 110' ' ' LEU . 54.0 Cg_endo -69.75 171.17 14.95 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.694 2.263 . . . . 0.0 112.357 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.5 t -45.92 -56.02 6.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.4 m -169.13 -176.26 2.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 tp -155.71 117.13 3.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 23.2 t-80 -107.44 142.76 36.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.9 m -132.55 130.12 59.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -112.16 107.97 55.39 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.575 0.702 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 128.87 16.62 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.683 2.255 . . . . 0.0 112.34 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.472 ' O ' ' C ' ' A' ' 40' ' ' VAL . 2.5 mp -121.93 154.33 37.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.472 ' C ' ' O ' ' A' ' 39' ' ' LEU . 44.5 t -31.44 -73.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 72.9 p -115.35 25.67 10.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.149 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.435 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 6.9 m -151.17 178.89 8.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.435 ' CG1' ' O ' ' A' ' 42' ' ' SER . 40.0 mt -158.38 112.52 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.103 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 96.8 t -83.91 99.45 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.2 t -90.76 100.21 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.151 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.4 p -101.11 139.65 36.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.557 ' CZ3' HD13 ' A' ' 62' ' ' ILE . 47.2 p90 -138.96 -179.89 6.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 56.3 p -143.54 152.71 57.32 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.603 0.716 . . . . 0.0 111.14 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 161.52 45.59 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.668 2.245 . . . . 0.0 112.394 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 127.0 14.0 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.718 2.279 . . . . 0.0 112.324 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -42.11 -36.37 1.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -70.48 97.51 1.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -83.31 37.74 0.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -122.39 -20.91 5.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 44.9 mt -85.81 128.23 39.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.7 t -71.28 107.41 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 64.3 t -103.59 114.29 42.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.069 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.433 ' HB3' ' NH1' ' A' ' 58' ' ' ARG . 4.7 mmm180 -81.93 -44.19 17.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -172.03 -179.2 42.8 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.487 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -125.45 168.73 13.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.915 0.388 . . . . 0.0 110.894 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -130.58 122.06 26.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.099 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.557 HD13 ' CZ3' ' A' ' 47' ' ' TRP . 16.8 mt -100.15 137.95 26.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.104 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.437 ' N ' HG21 ' A' ' 62' ' ' ILE . . . -135.57 124.28 3.27 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.412 ' CD1' ' N ' ' A' ' 64' ' ' TYR . 3.5 p90 -125.5 172.04 10.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.935 0.398 . . . . 0.0 110.89 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 153.56 145.47 4.16 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.515 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.486 ' CD1' ' CZ ' ' A' ' 94' ' ' TYR . 47.1 mm -57.67 105.69 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.843 0.354 . . . . 0.0 111.15 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 77.37 -48.02 2.77 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.522 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 26.0 m -115.82 121.05 34.74 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.595 0.712 . . . . 0.0 110.867 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 1.4 4.48 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.666 2.244 . . . . 0.0 112.352 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.406 ' O ' ' CG ' ' A' ' 70' ' ' HIS . 0.4 OUTLIER -86.53 42.8 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -107.95 -53.96 2.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -139.58 153.33 47.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.4 m -135.81 130.05 33.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.176 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 70.1 mt -117.33 117.03 53.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.1 mttt -99.3 123.63 43.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 34.9 m -138.99 162.36 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.146 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.24 158.53 7.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.826 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.426 ' CD2' ' N ' ' A' ' 79' ' ' LYS . 52.0 p90 -61.73 -50.44 72.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.426 ' N ' ' CD2' ' A' ' 78' ' ' TYR . 35.8 mttt -36.59 -50.21 0.79 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.867 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.443 ' O ' ' CZ2' ' A' ' 47' ' ' TRP . 52.6 mm-40 -37.46 112.48 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.966 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 12.0 tpp85 -74.17 -40.64 62.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.543 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 18.8 p90 -155.69 165.73 35.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -130.23 142.01 50.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.949 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 61.7 m -105.19 105.07 14.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.112 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 29.2 mt -87.6 105.43 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -101.97 170.94 7.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 73.89 45.74 0.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 29.4 mt -119.98 157.71 28.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.14 121.32 83.78 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.596 0.712 . . . . 0.0 110.876 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 171.7 14.0 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.71 2.274 . . . . 0.0 112.321 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.3 p 50.31 54.99 10.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.823 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.2 m -156.42 148.0 22.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.815 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -92.92 117.59 30.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.486 ' CZ ' ' CD1' ' A' ' 66' ' ' ILE . 21.9 m-85 -108.86 151.06 26.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.953 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 58.6 t -110.16 107.38 22.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.159 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.425 HG23 ' N ' ' A' ' 97' ' ' THR . 3.4 mp -96.2 136.96 25.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.425 ' N ' HG23 ' A' ' 96' ' ' ILE . 72.5 p -135.51 142.82 45.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.158 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.464 HD23 ' CB ' ' A' ' 47' ' ' TRP . 3.3 tp -134.58 144.53 47.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.919 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -147.28 130.45 16.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.87 125.3 29.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.518 ' CB ' ' HB3' ' A' ' 106' ' ' GLU . 3.8 p90 -127.67 144.27 51.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' A' ' 105' ' ' GLY . 40.8 p-10 -136.43 -175.04 3.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -48.31 -42.74 31.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 41.7 t -68.65 -49.8 61.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.445 ' CA ' HG13 ' A' ' 27' ' ' VAL . . . 164.63 -165.2 37.32 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.538 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.518 ' HB3' ' CB ' ' A' ' 101' ' ' PHE . 1.4 pm0 -117.81 166.3 12.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.924 0.393 . . . . 0.0 110.908 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -107.09 -131.74 6.78 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.504 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.442 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -102.68 128.84 27.1 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.602 0.715 . . . . 0.0 111.155 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 168.87 20.26 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.765 2.31 . . . . 0.0 112.361 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.409 ' CD1' ' HG2' ' A' ' 31' ' ' PRO . 25.3 mt -109.07 155.89 20.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -113.57 127.85 56.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -137.45 179.55 6.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 25.3 p -142.22 146.46 35.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -156.71 119.94 4.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 85.2 t -99.53 98.41 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.129 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 117' ' ' ARG . 16.0 p -44.47 122.61 3.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 116' ' ' THR . 6.5 mmm180 -36.75 144.29 0.29 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.619 0.723 . . . . 0.0 110.866 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.232 0.209 0 C-N-CA 122.695 2.264 . . . . 0.0 112.354 179.989 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -127.35 99.48 5.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.926 0.393 . . . . 0.0 110.88 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 4' ' ' GLY . 97.1 p 38.09 41.64 0.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.89 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 34.56 -137.33 0.24 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.482 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.5 m -163.59 176.73 9.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.859 0.362 . . . . 0.0 110.889 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.7 t -156.55 177.05 11.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.36 87.06 0.18 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.511 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 154.26 67.83 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.669 2.246 . . . . 0.0 112.348 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -161.1 143.84 12.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.2 t -172.39 136.53 0.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -172.43 159.87 4.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -99.97 155.85 17.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.459 ' CD1' ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -142.13 170.3 15.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.9 t -116.61 92.05 3.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -174.96 160.14 2.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.174 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -63.06 179.08 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 18' ' ' PHE . 13.9 m -97.43 46.94 1.03 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.111 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.448 ' C ' ' O ' ' A' ' 17' ' ' THR . 63.3 t80 34.44 44.67 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.75 127.76 10.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.864 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 96.4 p -70.35 -19.88 63.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.841 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.06 -40.86 77.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 37.7 mt -39.84 149.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -75.05 93.05 2.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.487 ' CG ' ' OD1' ' A' ' 103' ' ' ASN . 19.2 tt0 -120.82 18.58 11.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.9 t -93.17 -10.75 34.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.171 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.415 ' C ' HG12 ' A' ' 104' ' ' VAL . 0.4 OUTLIER -137.16 165.7 25.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.2 m -84.2 145.82 46.73 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.574 0.702 . . . . 0.0 111.165 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 103.39 1.15 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.729 2.286 . . . . 0.0 112.333 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -56.97 170.95 0.39 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.475 ' CG2' ' HD2' ' A' ' 31' ' ' PRO . 4.6 p -38.24 138.81 0.69 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.657 0.741 . . . . 0.0 111.125 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 30' ' ' VAL . 53.9 Cg_endo -69.74 169.82 18.0 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.652 2.235 . . . . 0.0 112.373 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 54.5 p -49.42 -46.81 48.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.838 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -174.94 -176.28 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.4 tp -153.61 117.88 4.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 -108.34 143.7 36.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.1 m -133.46 138.46 51.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.077 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.6 ttt85 -120.69 107.84 37.93 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.606 0.717 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 129.83 18.31 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.7 2.267 . . . . 0.0 112.389 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.468 ' O ' ' C ' ' A' ' 40' ' ' VAL . 2.9 mp -122.44 154.29 37.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.468 ' C ' ' O ' ' A' ' 39' ' ' LEU . 60.7 t -31.88 -72.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.068 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 67.3 p -117.22 24.37 11.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.124 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.476 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 15.5 m -148.19 -179.26 6.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.828 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.476 ' CG1' ' O ' ' A' ' 42' ' ' SER . 44.4 mt -159.72 109.54 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.153 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 72.5 t -82.71 97.72 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.162 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 64.4 t -87.57 101.87 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.448 ' HA ' ' CB ' ' A' ' 82' ' ' TYR . 53.0 p -106.14 125.23 50.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.545 ' CZ3' ' HA ' ' A' ' 82' ' ' TYR . 49.1 p90 -121.6 -179.68 4.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.953 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.8 p -144.04 144.18 25.41 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.601 0.715 . . . . 0.0 111.12 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 164.61 33.88 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.641 2.227 . . . . 0.0 112.346 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 51' ' ' GLU . 53.6 Cg_endo -69.75 133.51 25.76 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.735 2.29 . . . . 0.0 112.31 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 50' ' ' PRO . 5.3 mp0 -34.85 -45.75 0.27 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -71.09 109.69 5.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -95.34 37.4 1.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -115.67 -26.58 7.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 25.0 mt -73.09 128.11 35.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.148 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 63.0 t -67.98 110.05 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.456 HG13 ' CZ ' ' A' ' 60' ' ' TYR . 90.9 t -108.64 113.19 43.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.131 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -77.04 -47.93 19.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -173.76 176.35 46.31 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.51 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.456 ' CZ ' HG13 ' A' ' 57' ' ' VAL . 12.2 m-85 -124.64 170.65 10.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.879 0.371 . . . . 0.0 110.923 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -122.57 137.59 54.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.053 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.524 HD12 ' CZ3' ' A' ' 47' ' ' TRP . 23.8 mt -117.94 107.81 22.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -102.48 132.85 11.15 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 47.7 p90 -138.39 158.52 44.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.916 0.389 . . . . 0.0 110.933 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 149.74 142.5 3.59 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.515 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.519 HD12 ' CZ ' ' A' ' 94' ' ' TYR . 4.3 mp -68.16 117.93 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.867 0.365 . . . . 0.0 111.142 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 100.63 -43.24 1.78 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 t -159.29 141.1 9.77 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.664 0.745 . . . . 0.0 110.847 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -23.28 31.11 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.689 2.259 . . . . 0.0 112.341 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -52.97 -28.61 24.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -41.04 -64.56 0.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.057 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -132.67 152.1 51.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 89.0 m -136.78 141.46 42.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.141 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 72.7 mt -125.69 126.53 70.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.9 mmtp -107.98 137.88 45.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 24.6 m -137.77 -174.98 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.11 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -93.93 154.57 17.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.467 ' CD1' ' N ' ' A' ' 79' ' ' LYS . 20.2 p90 -47.79 -53.31 15.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.467 ' N ' ' CD1' ' A' ' 78' ' ' TYR . 4.7 mtpm? -37.55 -47.68 0.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.428 ' OE1' ' N ' ' A' ' 80' ' ' GLN . 2.4 mp0 -53.02 127.19 23.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -100.01 -33.7 10.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.545 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 39.6 p90 -148.1 157.8 43.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.968 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -126.8 128.34 46.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 96.9 m -97.37 93.58 6.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.144 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 32.2 mt -73.8 104.75 2.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.173 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.456 ' C ' ' CG ' ' A' ' 87' ' ' ASN . 47.5 mt-10 -92.86 -176.02 4.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.456 ' CG ' ' C ' ' A' ' 86' ' ' GLU . 0.5 OUTLIER 48.5 52.68 13.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.449 ' CD1' HG13 ' A' ' 43' ' ' ILE . 57.7 mt -109.25 -176.17 2.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -108.41 118.65 51.69 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.615 0.722 . . . . 0.0 110.863 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 165.23 31.63 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.685 2.256 . . . . 0.0 112.338 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.6 m 53.32 49.62 19.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.3 m -153.98 133.02 12.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.864 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -79.3 112.23 16.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.834 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.519 ' CZ ' HD12 ' A' ' 66' ' ' ILE . 16.9 m-85 -102.09 125.57 48.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 87.2 t -89.01 103.39 13.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.139 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.445 HD13 ' N ' ' A' ' 96' ' ' ILE . 4.5 mp -95.72 133.13 37.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.411 ' N ' HG23 ' A' ' 96' ' ' ILE . 37.3 p -123.63 162.79 22.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.42 HD21 ' CB ' ' A' ' 47' ' ' TRP . 11.1 tp -148.54 129.8 14.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -138.02 136.31 36.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.47 128.49 36.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 43.9 p90 -132.7 144.96 50.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 40.7 p-10 -141.63 -175.8 4.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.487 ' OD1' ' CG ' ' A' ' 24' ' ' GLU . 5.7 p-10 -53.54 -31.92 48.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.415 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 99.0 t -69.95 -44.62 78.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.162 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 164.23 -170.51 39.47 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -97.45 156.69 16.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.952 0.406 . . . . 0.0 110.834 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -105.8 -150.73 19.15 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.534 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.44 HD11 ' N ' ' A' ' 108' ' ' ILE . 0.0 OUTLIER -101.14 125.43 38.08 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.653 0.74 . . . . 0.0 111.119 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 161.34 46.32 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.671 2.248 . . . . 0.0 112.401 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.433 ' CD1' ' HG2' ' A' ' 31' ' ' PRO . 40.9 mt -110.05 163.78 13.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.915 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -122.78 124.49 43.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.975 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -133.38 178.34 6.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 25.1 p -141.66 138.43 32.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -149.25 111.05 4.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.053 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 58.1 t -98.68 108.41 22.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 12.3 p -59.23 138.32 57.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -64.04 150.08 92.57 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.581 0.705 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 110.71 2.63 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.672 2.248 . . . . 0.0 112.335 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -53.71 -54.68 34.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 20.8 p 42.11 39.71 1.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.146 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 59.6 p 39.1 39.31 0.38 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.827 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 139.99 82.95 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.453 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -4.87 14.93 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.645 2.23 . . . . 0.0 112.378 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 3.6 t -57.31 149.31 20.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.9 t 64.35 41.36 5.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.483 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.0 p -74.91 168.58 19.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.874 0.369 . . . . 0.0 110.859 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.9 t -164.29 154.8 14.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.822 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.51 72.6 0.24 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.49 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.3 m -96.89 86.14 3.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.889 0.376 . . . . 0.0 110.861 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.9 p -168.98 152.13 5.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.2 83.9 0.17 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 143.95 52.23 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.668 2.245 . . . . 0.0 112.295 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -172.52 136.84 0.79 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.6 p -120.37 174.49 6.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.16 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -53.55 102.01 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.854 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 77.4 m95 -55.53 99.26 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -78.88 161.64 26.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.93 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.6 t -63.29 137.77 58.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.52 -55.61 4.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.113 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -159.94 166.38 30.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.7 t -76.91 128.0 33.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.178 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -141.14 132.73 27.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -71.64 166.04 22.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 75.7 m -96.33 45.52 1.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -120.29 84.22 2.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.6 mp -128.82 176.47 7.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -90.56 108.58 19.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -120.06 30.04 7.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.3 t -105.2 -18.19 14.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.46 ' N ' HG22 ' A' ' 104' ' ' VAL . 24.5 ptt180 -126.83 170.41 12.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.821 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.411 HG11 ' N ' ' A' ' 106' ' ' GLU . 19.1 m -93.21 147.62 34.13 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.611 0.719 . . . . 0.0 111.138 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 102.02 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.664 2.242 . . . . 0.0 112.385 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 30' ' ' VAL . 6.0 mm-40 -53.13 169.59 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 29' ' ' GLU . 7.5 p -37.87 134.66 0.83 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.652 0.739 . . . . 0.0 111.107 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -179.97 3.26 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.689 2.26 . . . . 0.0 112.341 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.42 ' OG ' ' N ' ' A' ' 33' ' ' SER . 3.6 p -51.12 -58.23 6.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.814 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.42 ' N ' ' OG ' ' A' ' 32' ' ' SER . 79.7 p -166.11 -175.0 3.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 tp -153.58 119.84 5.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -105.77 149.82 26.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.0 m -137.88 138.39 44.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.4 ttt180 -124.48 109.25 28.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.661 0.743 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 128.02 15.45 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.668 2.245 . . . . 0.0 112.394 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.491 ' O ' ' C ' ' A' ' 40' ' ' VAL . 4.7 mp -121.37 154.65 36.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.491 ' C ' ' O ' ' A' ' 39' ' ' LEU . 59.3 t -30.21 -72.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 29.6 p -119.47 24.63 10.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.466 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 17.5 p -148.46 -178.4 6.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.82 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.466 ' CG1' ' O ' ' A' ' 42' ' ' SER . 52.7 mt -159.25 108.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.119 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 87.2 t -77.83 95.19 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.101 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.9 t -85.07 101.69 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 41.3 p -103.99 126.77 51.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.465 ' HB2' ' CD2' ' A' ' 98' ' ' LEU . 48.3 p90 -126.36 -175.31 3.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.4 p -145.88 156.83 51.53 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.562 0.696 . . . . 0.0 111.176 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 161.08 47.29 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.668 2.246 . . . . 0.0 112.406 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 142.73 48.69 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.708 2.272 . . . . 0.0 112.345 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -50.48 -47.11 57.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.845 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -83.92 98.06 9.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 54' ' ' ASN . 17.2 mm100 -71.51 -35.44 70.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 53' ' ' GLN . 2.0 m-80 -35.28 -41.5 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 56.2 mt -69.26 131.01 34.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 93.2 t -65.06 143.31 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.128 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.1 t -140.76 113.32 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -82.24 -38.84 23.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -178.14 -169.96 39.68 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.502 ' CD1' ' HA ' ' A' ' 78' ' ' TYR . 17.2 m-85 -134.17 150.92 51.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.872 0.368 . . . . 0.0 110.914 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -111.86 131.2 55.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.077 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.416 HG21 ' N ' ' A' ' 63' ' ' GLY . 18.9 mt -109.56 135.21 49.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.416 ' N ' HG21 ' A' ' 62' ' ' ILE . . . -130.29 137.37 9.47 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -143.2 144.59 32.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.909 0.385 . . . . 0.0 110.92 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 176.67 132.88 1.71 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.52 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 43.5 mt -60.4 105.13 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.83 0.347 . . . . 0.0 111.105 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 106.6 -40.14 2.61 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.487 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.7 t -158.34 141.5 10.83 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.648 0.737 . . . . 0.0 110.877 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 2.34 3.58 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.688 2.259 . . . . 0.0 112.353 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -86.68 41.58 0.96 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -114.35 -49.28 2.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 55.5 mm-40 -141.04 157.88 44.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.6 m -141.51 129.82 22.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 91.4 mt -123.95 108.29 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -97.12 123.67 40.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.922 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 33.4 m -136.22 155.83 35.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.112 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -44.85 153.44 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.502 ' HA ' ' CD1' ' A' ' 60' ' ' TYR . 52.5 p90 -59.54 -48.07 83.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 80' ' ' GLN . 8.6 mtmp? -39.52 -47.12 1.83 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 79' ' ' LYS . 6.4 mm-40 -35.4 112.01 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -78.35 -38.17 42.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.844 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -157.79 162.55 38.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -132.7 141.03 48.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 50.2 m -103.71 94.22 5.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.17 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 59.8 mt -68.47 117.58 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -105.44 179.74 4.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 67.26 44.26 1.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.411 ' CD1' HG13 ' A' ' 43' ' ' ILE . 64.6 mt -118.15 166.5 12.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -111.38 136.13 20.98 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.575 0.702 . . . . 0.0 110.902 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 161.14 47.07 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.404 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 m 62.02 46.51 6.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 42.4 m -152.06 133.55 14.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.805 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.516 ' CE1' HG21 ' A' ' 95' ' ' VAL . 4.4 t-80 -80.0 131.8 35.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.877 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -124.23 120.77 33.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.516 HG21 ' CE1' ' A' ' 93' ' ' HIS . 99.7 t -85.71 109.83 18.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.157 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.445 HG22 ' N ' ' A' ' 97' ' ' THR . 4.2 mp -100.3 135.3 36.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.445 ' N ' HG22 ' A' ' 96' ' ' ILE . 38.5 p -128.95 145.14 51.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.465 ' CD2' ' HB2' ' A' ' 47' ' ' TRP . 11.9 tp -131.67 132.86 44.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.0 ptpp? -136.53 127.26 27.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 107' ' ' GLY . . . -83.03 122.66 28.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.087 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -122.26 168.83 11.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 43.0 p-10 -161.44 -175.13 4.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -52.8 -34.41 53.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.46 HG22 ' N ' ' A' ' 26' ' ' ARG . 99.1 t -65.88 -49.28 78.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 178.07 -129.47 1.43 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.47 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.411 ' N ' HG11 ' A' ' 27' ' ' VAL . 26.6 mt-10 -130.99 158.62 39.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.886 0.374 . . . . 0.0 110.867 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 100' ' ' ALA . . . -102.1 -175.0 27.75 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.523 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 6.1 mm -82.29 127.47 71.11 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.621 0.724 . . . . 0.0 111.116 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 162.66 41.19 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.738 2.292 . . . . 0.0 112.327 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 32.9 mt -110.43 178.85 4.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.965 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -139.15 115.01 10.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -129.05 176.38 7.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 52.8 p -140.97 134.29 29.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -144.2 114.22 7.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.096 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 97.5 t -99.4 96.07 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.087 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 23.0 p -41.54 141.4 0.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.18 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 48.3 mtt-85 -51.11 157.09 1.57 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.594 0.712 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -4.18 13.49 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.688 2.259 . . . . 0.0 112.357 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.519 ' O ' ' CG ' ' A' ' 119' ' ' HIS . 32.9 t60 50.03 44.73 25.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 27.6 m -111.02 90.56 3.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 66.1 m -68.22 -58.0 5.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 116.3 -168.7 12.78 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.523 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 133.55 25.77 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 51.3 p -79.13 138.44 37.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.826 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 34.2 p -166.54 173.18 10.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.851 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.5 -179.94 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.9 m 62.29 42.9 8.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.878 0.371 . . . . 0.0 110.888 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 t -71.0 177.02 3.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.03 -157.56 7.35 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.466 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -145.57 157.48 43.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.824 0.345 . . . . 0.0 110.883 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.3 p -126.72 151.22 48.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.835 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.71 147.56 26.72 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.47 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 129.93 18.45 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.739 2.293 . . . . 0.0 112.385 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.8 144.97 55.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.111 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.2 t -65.08 152.02 44.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.131 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 12' ' ' TRP . 25.1 m-20 -121.37 92.1 3.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.447 ' C ' ' O ' ' A' ' 11' ' ' ASP . 5.0 m-90 -34.95 137.88 0.12 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 26.3 mt -83.11 -45.57 13.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 90.2 p -140.97 109.65 6.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.49 -44.9 0.75 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.052 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -154.59 143.94 21.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.1 m -103.05 82.76 2.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.173 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.45 ' O ' ' C ' ' A' ' 19' ' ' GLU . 0.7 OUTLIER -165.17 124.05 1.73 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 18' ' ' PHE . 1.8 tp10 -34.57 148.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.7 p -82.21 42.04 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.829 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -118.47 38.75 3.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.9 mt -111.37 164.7 12.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.934 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -89.94 124.11 34.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -128.09 32.46 4.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 65.6 p -106.87 -19.86 13.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.142 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -123.44 150.65 43.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.836 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.6 m -77.95 148.36 75.29 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.662 0.744 . . . . 0.0 111.137 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.466 ' HD3' ' ND2' ' A' ' 102' ' ' ASN . 54.2 Cg_endo -69.69 102.84 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.718 2.279 . . . . 0.0 112.31 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -49.23 179.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.477 ' CG2' ' HD2' ' A' ' 31' ' ' PRO . 4.7 p -47.83 138.85 9.51 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.618 0.723 . . . . 0.0 111.134 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 30' ' ' VAL . 53.7 Cg_endo -69.73 167.58 23.98 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.725 2.283 . . . . 0.0 112.316 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -48.75 -50.14 35.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 t -174.07 -176.99 1.24 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.843 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 tp -153.98 110.11 3.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -98.2 141.75 30.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.823 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.4 m -128.16 139.31 52.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.463 ' HG3' ' CD1' ' A' ' 39' ' ' LEU . 15.3 tpp180 -123.72 107.72 31.24 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.652 0.739 . . . . 0.0 110.838 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 127.77 15.02 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.674 2.25 . . . . 0.0 112.358 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.478 ' O ' ' C ' ' A' ' 40' ' ' VAL . 5.0 mp -121.87 154.4 37.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.478 ' C ' ' O ' ' A' ' 39' ' ' LEU . 94.9 t -31.18 -71.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 43.9 p -119.12 23.68 11.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.104 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.5 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 1.4 t -147.47 -177.85 5.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.871 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.5 ' CG1' ' O ' ' A' ' 42' ' ' SER . 23.1 mt -160.76 105.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.449 ' CG2' HD11 ' A' ' 39' ' ' LEU . 2.6 t -77.62 97.92 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 72.0 t -86.64 100.09 9.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.11 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 85.3 p -105.3 124.55 49.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.523 ' CZ3' HD11 ' A' ' 62' ' ' ILE . 45.2 p90 -125.43 -176.36 3.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.4 p -137.7 153.92 74.43 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.571 0.701 . . . . 0.0 111.143 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 161.77 44.66 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.698 2.265 . . . . 0.0 112.338 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 122.81 9.49 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.672 2.248 . . . . 0.0 112.34 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.5 mp0 -39.26 -41.37 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -71.12 108.09 4.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -93.29 35.04 1.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.945 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -113.6 -26.95 8.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 12.4 mt -84.47 127.38 39.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.166 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 77.2 t -68.79 118.41 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.1 t -107.03 125.66 63.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -96.98 -32.48 11.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 175.93 -177.37 47.62 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.448 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -133.0 165.53 24.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.914 0.388 . . . . 0.0 110.882 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.36 125.56 45.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.095 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.523 HD11 ' CZ3' ' A' ' 47' ' ' TRP . 14.4 mt -111.34 108.53 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -100.55 142.83 16.01 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.483 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -144.94 155.47 43.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.911 0.386 . . . . 0.0 110.918 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 169.08 156.04 10.3 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.449 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.502 HD13 ' CZ ' ' A' ' 94' ' ' TYR . 47.3 mm -78.32 88.36 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.872 0.368 . . . . 0.0 111.133 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.67 -35.32 4.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.47 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 70.9 m -153.96 141.85 13.91 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.71 0.767 . . . . 0.0 110.839 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 0.33 5.78 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.372 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.426 ' O ' ' C ' ' A' ' 71' ' ' ALA . 23.4 m-70 -76.59 -33.72 58.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 70' ' ' HIS . . . -35.32 -61.45 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.09 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -141.4 155.77 45.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.6 m -140.71 134.62 30.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.132 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 86.6 mt -122.31 112.85 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 44.0 mttp -100.37 134.64 43.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.2 m -132.21 176.71 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.69 -179.53 0.88 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -86.54 -15.9 38.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 63.6 mttt -87.13 34.92 0.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.907 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.518 ' O ' ' CZ2' ' A' ' 47' ' ' TRP . 60.2 mm-40 -121.32 115.69 23.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -85.14 -39.4 17.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -145.01 162.3 37.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -141.69 133.88 27.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.933 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 52.7 m -96.82 111.4 23.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.12 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 70.4 mt -91.08 98.24 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.122 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -93.65 176.31 6.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 70.32 44.67 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.853 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 85.8 mt -115.57 171.06 7.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -100.17 122.96 48.55 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.598 0.713 . . . . 0.0 110.866 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 157.34 60.66 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.644 2.23 . . . . 0.0 112.344 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 37.2 t 64.43 47.08 3.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.7 m -155.27 141.34 18.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -79.5 135.71 36.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.502 ' CZ ' HD13 ' A' ' 66' ' ' ILE . 24.9 m-85 -128.14 131.01 48.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 65.5 t -96.53 122.01 47.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.16 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.0 mp -112.11 135.33 51.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 22.7 p -130.31 145.19 51.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.465 HD22 ' CB ' ' A' ' 47' ' ' TRP . 5.3 tp -136.58 136.33 39.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.0 ptpp? -139.85 132.06 28.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -80.94 123.0 27.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 101' ' ' PHE . 9.0 p90 -124.81 162.67 23.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.466 ' ND2' ' HD3' ' A' ' 28' ' ' PRO . 42.6 p-10 -159.2 -175.91 5.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -51.93 -34.65 42.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 52.6 t -65.45 -48.44 82.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.137 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 173.26 -129.56 1.7 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.512 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -133.03 158.07 43.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.895 0.378 . . . . 0.0 110.876 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -105.07 -167.08 24.05 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.461 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 5.3 mm -85.15 124.32 72.26 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.613 0.72 . . . . 0.0 111.136 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 167.85 23.2 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.668 2.245 . . . . 0.0 112.355 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 67.2 mt -118.38 176.35 5.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -136.14 125.44 24.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.945 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -134.6 174.51 10.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 71.8 p -138.24 135.32 35.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -145.25 115.04 7.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.098 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 80.1 t -102.01 102.12 13.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 40.8 p -48.22 146.08 2.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 26.6 mtp180 -74.53 158.04 85.51 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.61 0.719 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 119.14 6.14 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.691 2.261 . . . . 0.0 112.374 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -96.08 37.88 1.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.844 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 30.7 p -93.67 83.21 4.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.131 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 47.4 m -157.51 154.6 28.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -91.35 -147.6 20.11 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.453 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -4.69 14.51 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.657 2.238 . . . . 0.0 112.347 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.6 t -58.15 -50.78 72.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.865 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 15.9 t -60.8 -61.07 2.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.84 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 -179.981 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 t -169.56 153.07 4.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 110.834 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.5 p -128.78 170.07 13.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.12 175.0 43.0 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.548 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 t -128.11 154.22 45.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.872 0.368 . . . . 0.0 110.833 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 m -144.51 115.17 7.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.846 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.93 166.18 35.33 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.519 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -34.69 14.07 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.729 2.286 . . . . 0.0 112.303 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 39.42 33.46 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.6 t -96.97 126.95 42.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.158 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -131.22 100.47 5.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 41.1 m95 -121.24 161.47 21.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -90.49 172.68 8.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 81.0 p -104.36 150.34 24.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -124.74 148.41 48.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.072 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -103.82 42.5 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.5 t -113.44 34.36 4.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.41 ' O ' ' CG ' ' A' ' 18' ' ' PHE . 1.2 p90 -147.86 119.08 7.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -73.8 153.15 40.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.8 m -87.26 43.63 1.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.84 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -108.26 45.91 0.99 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.807 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.6 mt -146.4 170.86 15.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.7 81.98 2.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 26' ' ' ARG . 39.2 tt0 -83.55 -34.36 25.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 64.4 p -43.11 -23.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 24' ' ' GLU . 9.5 ptp180 -106.09 145.47 31.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.4 m -82.41 148.93 60.3 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.621 0.724 . . . . 0.0 111.129 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 102.55 1.04 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.715 2.277 . . . . 0.0 112.323 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -56.69 -179.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.464 HG22 ' CD2' ' A' ' 110' ' ' LEU . 0.4 OUTLIER -43.92 133.21 4.1 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.599 0.714 . . . . 0.0 111.157 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.405 ' N ' HG21 ' A' ' 30' ' ' VAL . 53.2 Cg_endo -69.79 167.18 25.22 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.719 2.279 . . . . 0.0 112.31 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -43.54 -54.12 5.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.5 p -172.73 179.27 2.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.837 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.489 ' CD2' ' OE1' ' A' ' 112' ' ' GLU . 1.9 tp -146.62 119.53 8.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 21.3 t-80 -110.68 147.99 33.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 23.7 m -138.13 161.1 32.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.418 ' HD3' ' C ' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -140.05 109.61 7.05 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.636 0.731 . . . . 0.0 110.887 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 120.11 6.94 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.677 2.251 . . . . 0.0 112.317 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.47 ' O ' ' C ' ' A' ' 40' ' ' VAL . 4.9 mp -115.86 154.09 30.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.95 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.47 ' C ' ' O ' ' A' ' 39' ' ' LEU . 74.8 t -31.95 -75.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.143 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 17.1 p -113.1 23.34 13.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.158 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.504 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 1.2 p -149.15 -178.96 6.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.504 ' CG1' ' O ' ' A' ' 42' ' ' SER . 22.0 mt -160.6 108.17 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 96.6 t -75.08 118.55 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.7 t -108.56 102.41 13.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.8 p -109.0 128.33 54.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.823 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.565 ' CZ2' ' O ' ' A' ' 80' ' ' GLN . 41.7 p90 -128.67 -178.72 4.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.6 p -139.77 153.15 69.7 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.525 0.679 . . . . 0.0 111.189 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 157.33 60.75 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.699 2.266 . . . . 0.0 112.326 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 126.55 13.47 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.694 2.263 . . . . 0.0 112.382 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -47.44 -25.62 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -86.4 94.34 9.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 -77.98 -17.7 56.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -54.91 -29.33 55.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 10.7 mt -89.22 137.98 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.156 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.8 t -81.48 133.3 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.126 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.0 t -119.65 130.55 73.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.8 mmp_? -100.72 -28.7 12.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.522 ' C ' ' CE1' ' A' ' 101' ' ' PHE . . . 173.45 177.23 42.53 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -123.92 164.61 18.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.913 0.387 . . . . 0.0 110.897 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -121.71 116.13 23.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.118 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.465 HD13 ' CZ3' ' A' ' 47' ' ' TRP . 10.1 mt -99.02 143.3 13.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -137.4 145.91 17.7 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.513 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.463 ' CE1' HD11 ' A' ' 74' ' ' ILE . 5.8 p90 -147.95 158.52 44.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.905 0.383 . . . . 0.0 110.898 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 154.46 147.46 4.68 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.492 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 15.7 mt -69.87 110.04 2.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.855 0.359 . . . . 0.0 111.183 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 98.88 -47.58 1.38 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.8 m -148.0 140.28 14.49 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.622 0.725 . . . . 0.0 110.859 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -23.12 30.95 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.67 2.247 . . . . 0.0 112.315 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -44.71 -25.6 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -41.33 -71.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -134.04 148.69 51.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 63.3 m -128.94 124.92 36.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.174 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.463 HD11 ' CE1' ' A' ' 64' ' ' TYR . 50.0 mt -111.58 110.44 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.08 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 49.5 mttt -98.07 123.92 42.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 30.9 m -123.13 -176.13 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.166 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -71.85 -177.75 2.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -93.76 -4.05 51.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.7 mtmt -101.39 32.69 3.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.565 ' O ' ' CZ2' ' A' ' 47' ' ' TRP . 46.7 mm-40 -113.64 109.24 18.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -69.99 -42.3 73.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 18.4 p90 -151.1 165.68 33.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -135.84 137.37 41.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.951 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 88.5 m -100.33 114.01 27.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 33.1 mt -95.29 114.58 32.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.14 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -112.41 168.81 9.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 74.61 48.42 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 55.2 mt -119.14 166.94 12.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -89.68 121.82 68.71 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.63 0.729 . . . . 0.0 110.863 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 150.56 68.7 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.393 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.3 t 67.39 48.62 1.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.7 m -152.82 138.96 18.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -79.01 134.36 36.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -130.28 129.85 43.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 77.2 t -88.21 114.58 27.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.099 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.411 ' N ' HD12 ' A' ' 96' ' ' ILE . 3.0 mp -101.19 130.31 50.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.1 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 31.1 p -129.17 154.94 46.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.515 HD21 ' CG ' ' A' ' 47' ' ' TRP . 4.9 tp -150.37 141.94 23.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.0 pttt -149.7 148.27 29.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -96.79 137.91 35.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.07 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.522 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 52.8 p90 -131.5 166.45 21.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 39.1 p-10 -151.0 -179.15 7.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -55.28 -14.48 1.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 94.8 t -90.7 -49.94 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.149 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 172.16 -160.7 32.29 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.459 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -110.95 176.98 4.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.892 0.377 . . . . 0.0 110.872 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -122.44 -144.53 6.76 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.521 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.474 HD11 ' N ' ' A' ' 108' ' ' ILE . 0.0 OUTLIER -105.23 112.93 64.98 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.59 0.709 . . . . 0.0 111.19 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 167.07 25.44 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.676 2.25 . . . . 0.0 112.362 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.464 ' CD2' HG22 ' A' ' 30' ' ' VAL . 6.3 mt -108.75 167.13 10.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -118.67 132.94 56.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.489 ' OE1' ' CD2' ' A' ' 34' ' ' LEU . 2.3 mp0 -132.67 172.98 11.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 62.1 p -140.72 135.63 31.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -147.01 126.34 13.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 47.0 t -110.07 101.29 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.168 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 33.4 p -51.31 149.02 4.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 44.6 mtt180 -78.18 153.42 79.63 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.608 0.718 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 119' ' ' HIS . 53.6 Cg_endo -69.73 96.58 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.678 2.252 . . . . 0.0 112.317 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.431 ' C ' ' O ' ' A' ' 118' ' ' PRO . 5.3 t-80 -34.76 108.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.91 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 10.1 t -119.94 161.18 21.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 12.7 t -117.2 128.0 54.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.813 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 157.11 73.79 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.508 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 139.54 40.51 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.685 2.257 . . . . 0.0 112.352 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 3.8 m -98.67 97.59 8.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.851 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 89.3 p -45.43 -49.86 12.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.848 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 -179.96 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.2 t -153.84 151.94 30.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.843 0.354 . . . . 0.0 110.856 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -146.53 173.45 12.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.55 101.67 0.17 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.478 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -103.3 -48.3 4.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.851 0.358 . . . . 0.0 110.853 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.5 m -51.53 141.66 15.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.58 64.44 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.535 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 158.77 55.8 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.668 2.245 . . . . 0.0 112.326 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.15 41.05 0.95 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.416 HG23 ' N ' ' A' ' 11' ' ' ASP . 61.4 m -134.4 149.37 50.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.114 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.416 ' N ' HG23 ' A' ' 10' ' ' THR . 12.6 m-20 -51.03 173.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 14.7 m95 -83.69 114.44 21.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.2 mp -98.06 119.82 37.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 15' ' ' ALA . 97.4 p -103.09 72.17 1.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 14' ' ' SER . . . 35.32 47.13 0.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -102.65 82.79 2.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 73.0 p -126.4 146.99 49.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.421 ' CD1' ' N ' ' A' ' 19' ' ' GLU . 8.1 p90 -101.11 -48.92 4.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.421 ' N ' ' CD1' ' A' ' 18' ' ' PHE . 6.7 pt-20 -137.94 121.85 17.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.4 p -132.87 -55.16 0.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -84.76 -35.58 22.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.815 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 16.9 mt -45.86 136.41 6.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -93.45 103.5 15.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.817 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 26' ' ' ARG . 53.1 tt0 -105.61 -34.55 7.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.6 t -38.82 -26.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.131 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 24' ' ' GLU . 2.4 ptm85 -108.27 159.35 16.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.441 HG11 ' N ' ' A' ' 105' ' ' GLY . 8.1 m -91.65 146.31 32.89 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.627 0.727 . . . . 0.0 111.109 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 123.9 10.54 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.644 2.229 . . . . 0.0 112.354 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -75.94 -177.46 3.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.449 HG23 ' CD2' ' A' ' 110' ' ' LEU . 0.8 OUTLIER -49.12 131.53 16.05 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.645 0.736 . . . . 0.0 111.138 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 171.23 14.87 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.659 2.24 . . . . 0.0 112.329 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.2 p -45.66 -52.3 10.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 t -174.59 -176.01 1.0 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 tp -149.46 114.4 5.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -98.13 143.3 28.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.824 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.2 m -136.02 145.46 31.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.171 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -130.35 111.79 16.69 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.583 0.706 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 122.72 9.39 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.645 2.23 . . . . 0.0 112.332 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.481 ' O ' ' C ' ' A' ' 40' ' ' VAL . 5.2 mp -116.63 154.53 30.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.481 ' C ' ' O ' ' A' ' 39' ' ' LEU . 78.4 t -30.98 -73.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.1 p -116.27 24.5 11.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.129 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.47 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 1.9 p -149.74 -177.8 6.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.47 ' CG1' ' O ' ' A' ' 42' ' ' SER . 20.9 mt -159.54 108.44 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.151 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 83.0 t -73.95 108.9 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.152 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 81.3 t -100.61 100.74 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.6 p -108.87 132.2 54.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.486 ' CZ3' ' HA ' ' A' ' 82' ' ' TYR . 39.4 p90 -136.72 177.99 7.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.964 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -139.77 157.93 68.85 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.606 0.717 . . . . 0.0 111.113 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 157.86 58.93 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.673 2.248 . . . . 0.0 112.362 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.449 ' O ' ' N ' ' A' ' 52' ' ' ASN . 53.4 Cg_endo -69.75 133.79 26.43 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.719 2.279 . . . . 0.0 112.324 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 50' ' ' PRO . 34.2 mt-10 -37.23 -31.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.828 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 50' ' ' PRO . 31.0 t-20 -92.14 86.91 5.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -76.9 -19.39 57.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -51.28 -17.29 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 11.9 mt -91.8 144.39 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 77.7 t -82.73 139.53 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 46.4 t -133.51 118.62 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.115 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -82.44 -10.35 59.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 151.24 177.61 25.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.521 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -124.99 157.19 36.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.848 0.356 . . . . 0.0 110.981 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -113.09 129.37 56.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.101 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 17.1 mt -111.06 114.18 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.099 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -107.04 123.9 7.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.493 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -131.15 154.46 48.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.968 0.413 . . . . 0.0 110.908 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 165.42 145.9 4.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.514 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.463 HG13 ' CE2' ' A' ' 94' ' ' TYR . 58.8 mt -69.74 99.77 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.845 0.355 . . . . 0.0 111.139 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.36 -45.02 1.36 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.498 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 80.2 p -134.57 130.86 20.06 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.63 0.728 . . . . 0.0 110.855 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -18.95 36.79 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.699 2.266 . . . . 0.0 112.342 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -70.76 -21.56 62.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -39.31 -48.62 1.88 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.099 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -140.62 156.92 46.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.402 HG21 ' N ' ' A' ' 74' ' ' ILE . 26.6 m -141.78 143.07 33.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.402 ' N ' HG21 ' A' ' 73' ' ' THR . 88.9 mt -138.6 109.17 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.155 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.3 mttp -97.09 120.49 37.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 29.4 m -126.58 157.66 37.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.126 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -49.06 177.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.492 ' CE1' ' HG2' ' A' ' 79' ' ' LYS . 30.1 p90 -79.64 -49.64 11.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.961 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.492 ' HG2' ' CE1' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -39.44 -30.88 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.947 179.868 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -60.87 124.13 19.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.7 ttm-85 -101.55 -27.46 13.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.837 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.486 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 9.4 p90 -151.64 164.92 35.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -140.8 137.82 33.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.985 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 83.4 m -97.99 97.54 9.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 61.8 mt -73.75 118.38 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -114.07 176.39 5.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 64.98 52.65 1.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 52.3 mt -123.23 169.15 11.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -98.4 127.04 37.38 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.572 0.701 . . . . 0.0 110.843 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 148.04 63.86 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.668 2.245 . . . . 0.0 112.333 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.3 t 67.32 45.02 1.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 t -143.75 142.34 30.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -83.7 133.79 34.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.818 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.463 ' CE2' HG13 ' A' ' 66' ' ' ILE . 24.1 m-85 -126.77 144.05 51.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 18.3 t -107.44 104.95 17.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.094 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.438 HG21 ' N ' ' A' ' 97' ' ' THR . 2.3 mp -93.16 139.14 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.438 ' N ' HG21 ' A' ' 96' ' ' ILE . 7.8 p -135.84 133.81 38.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.8 tp -125.89 140.96 52.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.6 ptpt -151.33 140.21 20.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -84.51 133.49 34.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.093 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -137.78 140.3 40.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.897 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.46 ' ND2' HG22 ' A' ' 104' ' ' VAL . 45.3 p-10 -126.19 -175.38 3.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -53.39 -19.08 3.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.461 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 3.3 t -87.92 -49.55 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.441 ' N ' HG11 ' A' ' 27' ' ' VAL . . . 166.74 -166.87 39.31 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.443 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -111.66 160.44 17.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.92 0.391 . . . . 0.0 110.889 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -101.55 -126.42 5.83 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.49 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -106.58 121.46 45.11 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.632 0.729 . . . . 0.0 111.159 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 169.99 17.66 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.679 2.252 . . . . 0.0 112.361 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.449 ' CD2' HG23 ' A' ' 30' ' ' VAL . 10.9 mt -109.98 -179.49 3.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -137.9 124.63 21.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -137.47 172.36 13.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 25.7 p -141.48 140.64 33.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -148.89 111.92 4.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.062 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 116' ' ' THR . 36.4 t -92.98 95.99 5.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 115' ' ' VAL . 2.5 p -38.24 152.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 71.6 mtt-85 -84.57 154.42 62.14 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.628 0.727 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 136.68 33.75 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.404 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -100.79 -34.2 9.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 88.8 m -92.59 -70.24 0.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.181 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.6 t -54.86 153.94 5.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 119.49 83.72 0.84 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.511 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 174.95 8.8 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.662 2.241 . . . . 0.0 112.289 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 66.7 m -52.53 112.75 0.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 81.1 p -51.86 137.94 25.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.51 -179.957 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.7 p -173.55 162.91 4.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.849 0.357 . . . . 0.0 110.913 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -158.6 171.51 19.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.31 130.27 8.28 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.46 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 t -124.56 104.8 8.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.853 0.358 . . . . 0.0 110.825 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.3 p -131.04 102.86 6.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.847 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.5 117.69 2.18 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.521 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 0.01 6.3 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.699 2.266 . . . . 0.0 112.329 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.86 88.13 6.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.078 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 33.6 m -91.23 127.2 36.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.158 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -39.79 -47.96 2.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 5.3 m0 -120.46 92.65 3.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.4 mp -48.07 151.64 0.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.1 p -85.83 41.13 0.89 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -99.03 157.82 16.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.103 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -121.42 174.16 6.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.6 p -138.5 121.64 16.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.158 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.449 ' CG ' ' O ' ' A' ' 18' ' ' PHE . 2.2 p90 -166.57 121.56 1.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -114.99 143.62 44.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 64.5 p 45.96 31.94 1.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.2 t70 68.16 51.4 0.72 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.835 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.472 HD23 ' N ' ' A' ' 22' ' ' LEU . 0.4 OUTLIER -113.96 154.28 27.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -102.26 114.7 29.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -130.08 38.17 3.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.2 p -111.84 -20.16 12.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.429 ' HB2' ' NH1' ' A' ' 26' ' ' ARG . 2.9 ptm85 -125.39 161.12 27.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 32.8 m -81.19 146.98 59.61 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.646 0.736 . . . . 0.0 111.149 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 102.9 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.674 2.249 . . . . 0.0 112.33 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 30' ' ' VAL . 2.9 pt-20 -56.39 167.55 0.67 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.466 ' CG2' HD22 ' A' ' 110' ' ' LEU . 3.9 p -34.12 137.61 0.32 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.619 0.723 . . . . 0.0 111.137 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.417 ' HD2' ' CG2' ' A' ' 30' ' ' VAL . 53.3 Cg_endo -69.77 170.31 16.9 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.679 2.253 . . . . 0.0 112.346 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.1 t -46.63 -47.22 20.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -174.46 174.74 2.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.888 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.7 tp -148.78 112.17 4.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -103.27 147.84 26.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 23.7 m -134.7 145.26 32.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.088 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -129.94 109.8 16.96 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.563 0.697 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 127.36 14.48 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.701 2.267 . . . . 0.0 112.295 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.477 ' O ' ' C ' ' A' ' 40' ' ' VAL . 4.5 mp -118.19 154.41 32.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.477 ' C ' ' O ' ' A' ' 39' ' ' LEU . 78.1 t -30.67 -74.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.127 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 65.8 p -116.59 26.52 9.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.414 ' C ' HG13 ' A' ' 43' ' ' ILE . 2.2 p -151.61 -177.83 6.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.414 HG13 ' C ' ' A' ' 42' ' ' SER . 61.8 mt -157.19 118.98 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.114 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 87.6 t -89.17 105.33 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 67.9 t -97.97 103.26 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.6 t -107.38 126.99 53.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.42 ' CB ' HD23 ' A' ' 98' ' ' LEU . 45.1 p90 -126.14 168.47 13.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 68.4 p -129.85 152.43 79.87 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.604 0.716 . . . . 0.0 111.109 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 156.53 63.05 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.663 2.242 . . . . 0.0 112.359 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 51' ' ' GLU . 53.7 Cg_endo -69.81 125.07 11.7 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.698 2.266 . . . . 0.0 112.328 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 50' ' ' PRO . 4.9 pt-20 -37.37 -38.51 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -78.11 86.11 4.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 54' ' ' ASN . 44.7 mm-40 -64.54 -36.43 84.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 53' ' ' GLN . 24.1 m120 -38.16 -39.32 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 68.8 mt -68.59 126.61 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.098 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.0 t -69.98 108.92 2.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.12 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.7 t -106.29 105.89 19.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -79.06 -37.8 38.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -178.01 -172.86 42.9 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.469 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -133.63 174.09 10.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.895 0.378 . . . . 0.0 110.893 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -131.93 116.63 17.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.082 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.453 HG21 ' N ' ' A' ' 63' ' ' GLY . 47.3 mt -95.49 139.01 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.08 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.453 ' N ' HG21 ' A' ' 62' ' ' ILE . . . -130.74 134.06 7.59 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.45 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 21.9 p90 -142.09 171.57 13.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.915 0.388 . . . . 0.0 110.916 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 144.51 128.54 2.11 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.463 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.455 HG13 ' CE1' ' A' ' 94' ' ' TYR . 40.3 mt -48.57 105.64 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.885 0.374 . . . . 0.0 111.108 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.58 -52.65 0.76 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.505 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.9 m -143.65 143.6 24.19 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.654 0.74 . . . . 0.0 110.902 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 70' ' ' HIS . 53.9 Cg_endo -69.74 -40.06 5.8 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.703 2.269 . . . . 0.0 112.329 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.419 ' C ' ' O ' ' A' ' 69' ' ' PRO . 0.9 OUTLIER -36.86 -36.05 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.401 ' N ' ' CD2' ' A' ' 70' ' ' HIS . . . -39.57 -50.47 2.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -142.47 152.29 42.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 89.7 m -142.61 127.09 17.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 32.9 mt -117.57 119.44 61.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.158 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.1 mttt -102.64 132.64 48.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 26.8 m -137.3 150.41 26.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.177 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -53.11 161.93 0.76 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.504 ' CE2' ' HG3' ' A' ' 79' ' ' LYS . 53.9 p90 -59.11 -45.94 89.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.504 ' HG3' ' CE2' ' A' ' 78' ' ' TYR . 32.6 mtmt -40.36 -44.5 1.97 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.41 ' HA ' ' NE2' ' A' ' 80' ' ' GLN . 12.6 mm-40 -55.44 114.87 2.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -85.01 -36.95 20.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -144.67 167.61 22.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -141.37 136.02 31.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.946 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 89.7 m -103.33 108.99 20.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 44.4 mt -87.31 109.6 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -99.95 -176.44 3.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 63.09 45.61 5.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 93.6 mt -118.04 155.89 29.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.99 129.13 47.26 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.578 0.704 . . . . 0.0 110.883 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 150.33 67.97 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.703 2.269 . . . . 0.0 112.336 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.0 t 69.17 52.82 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.0 m -149.78 155.33 39.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.827 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -93.8 128.86 40.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.455 ' CE1' HG13 ' A' ' 66' ' ' ILE . 49.5 m-85 -126.07 125.19 42.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 93.2 t -93.44 103.55 14.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.127 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.5 mp -92.29 135.63 26.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.086 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 72.0 p -129.22 162.95 26.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.179 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.42 HD23 ' CB ' ' A' ' 47' ' ' TRP . 8.9 tp -150.91 131.19 13.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -137.48 131.05 31.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.06 139.2 38.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.105 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.492 ' CD1' ' C ' ' A' ' 101' ' ' PHE . 3.2 p90 -135.89 164.17 28.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 48.0 p-10 -167.86 179.22 4.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -46.67 -35.29 5.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 39.2 t -69.02 -49.24 64.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.155 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 165.28 -151.47 20.29 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.515 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -117.15 153.08 33.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.893 0.378 . . . . 0.0 110.849 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -99.91 -147.54 21.51 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.468 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.452 HD11 ' N ' ' A' ' 108' ' ' ILE . 0.0 OUTLIER -98.37 127.07 37.36 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.669 0.747 . . . . 0.0 111.121 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 163.55 37.81 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.681 2.254 . . . . 0.0 112.372 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.466 HD22 ' CG2' ' A' ' 30' ' ' VAL . 12.0 mt -109.14 164.97 11.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -125.6 120.19 30.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -129.31 176.82 7.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 72.9 p -140.85 139.19 34.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -161.76 119.87 2.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.112 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 40.8 t -107.14 111.38 35.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.127 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 38.0 p -45.62 147.86 0.82 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.192 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.482 ' CZ ' ' HB3' ' A' ' 117' ' ' ARG . 14.0 mtp-105 -74.7 154.06 87.31 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.597 0.713 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 131.84 22.15 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.707 2.271 . . . . 0.0 112.358 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.414 ' HB2' ' CG1' ' A' ' 40' ' ' VAL . 26.9 t60 -107.74 105.16 14.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 82.3 p -86.64 169.88 12.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 81.3 p -116.15 65.04 0.7 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -162.72 163.59 35.31 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.437 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 165.91 29.41 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.66 2.24 . . . . 0.0 112.343 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 3.6 m -91.82 170.05 10.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.854 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 45.5 p -55.03 121.7 9.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.514 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -172.48 153.77 2.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.911 0.386 . . . . 0.0 110.86 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -170.68 176.45 4.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.8 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.01 161.59 25.97 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.503 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.7 p -171.31 137.5 1.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.868 0.366 . . . . 0.0 110.883 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -164.43 149.35 9.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.7 88.4 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.517 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 170.28 16.94 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.678 2.252 . . . . 0.0 112.337 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -157.22 128.37 6.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.093 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.7 t -148.35 123.46 10.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -152.68 158.75 42.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 34.3 p-90 -64.69 116.98 6.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 14' ' ' SER . 2.2 pt? -123.15 133.07 54.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.943 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 13' ' ' LEU . 80.7 p 35.0 39.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.829 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -90.73 145.83 24.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.09 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -78.41 158.88 28.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.406 ' CG2' ' HG2' ' A' ' 19' ' ' GLU . 16.9 m -158.87 109.15 2.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -115.21 58.78 0.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.406 ' HG2' ' CG2' ' A' ' 17' ' ' THR . 9.4 pt-20 -132.16 41.49 3.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.4 p -77.8 -37.99 47.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -127.04 68.55 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.811 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.8 mt -144.3 154.95 43.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -88.61 115.18 25.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -129.56 36.88 4.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.2 p -108.94 -22.08 12.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.47 ' CA ' HG13 ' A' ' 104' ' ' VAL . 15.3 ptp180 -120.48 162.89 18.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.3 m -81.52 150.7 67.39 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.592 0.711 . . . . 0.0 111.145 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 103.35 1.15 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.668 2.245 . . . . 0.0 112.325 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -54.2 164.29 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.48 ' CG2' ' HD2' ' A' ' 31' ' ' PRO . 5.3 p -38.34 138.78 0.7 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.662 0.744 . . . . 0.0 111.098 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.48 ' HD2' ' CG2' ' A' ' 30' ' ' VAL . 53.4 Cg_endo -69.79 165.7 30.12 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.662 2.241 . . . . 0.0 112.346 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.5 t -45.66 -50.35 13.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 82.0 p -172.79 -175.48 1.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.8 tp -155.18 116.54 4.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -100.63 150.25 22.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.6 m -135.58 139.96 45.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.407 ' HG3' ' CD1' ' A' ' 39' ' ' LEU . 10.4 tpp180 -126.28 107.57 24.23 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.605 0.717 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 127.56 14.74 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.711 2.274 . . . . 0.0 112.337 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.5 ' O ' ' C ' ' A' ' 40' ' ' VAL . 4.1 mp -123.35 154.87 38.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.5 ' C ' ' O ' ' A' ' 39' ' ' LEU . 96.5 t -29.63 -75.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.141 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.7 p -116.77 26.68 9.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.14 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.509 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 5.3 p -151.75 -178.14 6.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.509 ' CG1' ' O ' ' A' ' 42' ' ' SER . 38.9 mt -160.72 108.97 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.078 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.464 HG23 ' CD1' ' A' ' 39' ' ' LEU . 3.9 t -75.2 91.75 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.431 HG11 ' CG2' ' A' ' 96' ' ' ILE . 89.1 t -82.46 100.54 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.147 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.47 ' HA ' ' CB ' ' A' ' 82' ' ' TYR . 1.3 m -104.82 134.9 47.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.462 ' CB ' HD22 ' A' ' 98' ' ' LEU . 48.8 p90 -129.53 -175.31 3.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.0 p -142.15 155.12 65.2 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.574 0.702 . . . . 0.0 111.118 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 161.39 46.1 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.7 2.267 . . . . 0.0 112.362 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 51' ' ' GLU . 54.2 Cg_endo -69.74 126.99 13.98 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.688 2.259 . . . . 0.0 112.37 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 50' ' ' PRO . 1.8 tt0 -35.5 -43.56 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -84.4 117.21 23.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 54' ' ' ASN . 14.1 mm-40 -83.58 -40.32 19.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 53' ' ' GLN . 35.1 m120 -36.83 -40.86 0.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 77.1 mt -66.08 131.92 31.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 94.9 t -77.62 131.71 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.147 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.508 HG12 ' CZ ' ' A' ' 60' ' ' TYR . 93.5 t -125.09 116.23 46.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.086 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.477 ' CZ ' ' OD1' ' A' ' 103' ' ' ASN . 7.2 mmt85 -82.62 -35.56 26.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 177.34 -176.25 47.97 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.508 ' CZ ' HG12 ' A' ' 57' ' ' VAL . 5.4 m-85 -132.54 141.8 48.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.874 0.369 . . . . 0.0 110.92 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -106.45 129.34 54.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.45 HD12 ' CZ3' ' A' ' 47' ' ' TRP . 20.4 mt -104.47 148.28 9.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.136 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -140.24 123.46 2.42 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.496 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 5.9 p90 -127.53 166.12 18.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.972 0.415 . . . . 0.0 110.9 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 156.4 126.98 0.98 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.553 HG13 ' CE2' ' A' ' 94' ' ' TYR . 20.4 mt -53.59 107.88 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.874 0.369 . . . . 0.0 111.109 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.67 -50.3 2.9 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.505 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 21.0 p -126.79 124.62 24.13 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.726 0.774 . . . . 0.0 110.865 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -9.49 26.23 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.673 2.249 . . . . 0.0 112.342 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 40.5 m-70 -82.91 43.13 0.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -107.37 -45.74 4.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 21.1 mp0 -140.48 151.04 44.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.7 m -133.86 123.96 25.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 77.9 mt -121.42 107.96 21.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 55.3 mttm -98.83 118.62 35.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.926 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 34.6 m -118.28 176.53 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -68.59 173.35 5.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -76.74 -21.38 55.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.0 mttp -82.79 37.38 0.53 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -120.12 113.09 19.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.979 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -77.71 -39.38 44.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.83 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.47 ' CB ' ' HA ' ' A' ' 46' ' ' SER . 45.3 p90 -155.28 171.21 20.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -136.66 140.57 42.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.927 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 93.4 m -100.78 96.82 7.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.109 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 71.8 mt -77.53 130.9 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.157 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -126.01 -177.05 3.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.465 ' N ' ' ND2' ' A' ' 87' ' ' ASN . 0.4 OUTLIER 74.58 31.91 0.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.454 HD23 ' CE2' ' A' ' 94' ' ' TYR . 52.7 mt -110.62 176.89 4.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.65 139.04 29.27 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.59 0.71 . . . . 0.0 110.911 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 155.95 64.71 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.679 2.253 . . . . 0.0 112.37 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.7 t 67.31 50.48 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.81 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 23.2 t -152.36 153.6 33.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.833 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 7.6 t-160 -99.78 130.76 46.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.553 ' CE2' HG13 ' A' ' 66' ' ' ILE . 50.9 m-85 -123.83 147.65 47.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.96 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 96.1 t -113.66 104.22 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.158 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.468 HG23 ' N ' ' A' ' 97' ' ' THR . 4.7 mp -93.31 139.06 18.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.468 ' N ' HG23 ' A' ' 96' ' ' ILE . 47.6 p -133.52 154.23 51.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.462 HD22 ' CB ' ' A' ' 47' ' ' TRP . 4.8 tp -143.13 136.05 27.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.946 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -142.73 135.54 28.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -84.57 132.53 34.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.087 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 45.6 p90 -133.48 133.09 41.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -131.67 -178.86 5.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.477 ' OD1' ' CZ ' ' A' ' 58' ' ' ARG . 77.5 m-20 -48.79 -40.57 29.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.47 HG13 ' CA ' ' A' ' 26' ' ' ARG . 35.9 t -60.96 -49.53 84.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 167.7 -158.15 30.84 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.492 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -106.31 157.29 17.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.36 . . . . 0.0 110.863 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -106.77 -145.23 12.31 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.451 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.447 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -104.83 125.34 34.07 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.625 0.726 . . . . 0.0 111.135 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 170.21 17.11 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.649 2.233 . . . . 0.0 112.357 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 53.9 mt -116.92 166.59 11.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.966 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -124.96 126.48 45.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.967 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -134.1 175.34 9.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 31.9 p -141.92 134.17 27.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -149.74 113.93 5.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.096 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 96.1 t -98.12 107.33 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 47.8 p -44.92 145.57 0.94 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.158 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 32.2 mtt180 -61.32 157.65 43.16 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.594 0.712 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -2.72 10.68 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.676 2.251 . . . . 0.0 112.375 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.492 ' CG ' ' O ' ' A' ' 119' ' ' HIS . 12.4 t60 51.24 46.6 26.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 10.0 t -117.93 103.2 9.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 63.5 p -120.09 136.64 54.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -119.89 -95.79 1.57 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 114.33 3.66 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.708 2.272 . . . . 0.0 112.336 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 32.2 t -59.85 -43.54 94.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.815 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 68.1 m -136.58 163.72 29.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.832 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.499 180.0 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.7 p -128.97 -31.07 2.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.873 0.368 . . . . 0.0 110.906 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.7 m 41.1 50.8 3.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.17 163.31 24.86 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.486 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.0 t -174.25 164.9 4.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.898 0.38 . . . . 0.0 110.884 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.7 t -136.33 179.17 6.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.91 84.08 0.19 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.45 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -179.96 3.28 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.654 2.236 . . . . 0.0 112.357 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.6 169.23 18.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.3 t -174.78 142.46 0.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.136 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -94.21 117.21 29.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 9.7 p90 -104.37 42.83 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.1 mt -85.03 29.47 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.3 m -81.68 41.92 0.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.831 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -94.2 50.47 1.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.405 ' C ' HG22 ' A' ' 17' ' ' THR . 44.9 mm-40 -125.95 46.53 2.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.934 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.405 HG22 ' C ' ' A' ' 16' ' ' GLU . 81.1 p -146.57 172.46 13.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.181 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -125.58 171.31 10.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -110.14 161.54 15.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.6 t -88.47 44.53 1.21 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.413 ' O ' ' CG ' ' A' ' 21' ' ' ASP . 3.9 p-10 -112.45 42.72 1.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.406 ' N ' HD21 ' A' ' 22' ' ' LEU . 4.3 mm? -94.22 172.62 8.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -122.42 92.28 3.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 26' ' ' ARG . 50.5 tt0 -94.14 -41.46 9.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 24' ' ' GLU . 49.4 p -37.58 -29.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.13 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 24' ' ' GLU . 4.0 ptp180 -103.3 143.12 33.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.829 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.414 HG13 ' C ' ' A' ' 105' ' ' GLY . 22.5 m -82.37 147.03 55.53 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.566 0.698 . . . . 0.0 111.141 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 102.22 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.634 2.222 . . . . 0.0 112.336 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -52.15 -177.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.455 ' CG2' ' HD2' ' A' ' 31' ' ' PRO . 4.8 p -48.54 138.4 11.72 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.63 0.728 . . . . 0.0 111.085 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.455 ' HD2' ' CG2' ' A' ' 30' ' ' VAL . 53.9 Cg_endo -69.8 173.76 10.53 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.637 2.225 . . . . 0.0 112.367 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.6 p -57.3 -42.73 82.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.9 p -174.21 -176.12 1.1 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 tp -153.67 123.58 6.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.939 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.547 ' C ' ' CD2' ' A' ' 35' ' ' HIS . 0.4 OUTLIER -107.34 155.36 20.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 179.892 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.503 ' N ' ' CD2' ' A' ' 35' ' ' HIS . 2.3 m -151.81 125.03 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 -109.27 106.53 58.79 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.611 0.72 . . . . 0.0 110.828 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 118.52 5.73 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.672 2.248 . . . . 0.0 112.344 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.494 ' O ' ' C ' ' A' ' 40' ' ' VAL . 6.5 mp -116.57 154.72 29.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.494 ' C ' ' O ' ' A' ' 39' ' ' LEU . 71.1 t -30.26 -73.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.083 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.5 p -116.56 25.19 10.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.126 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.481 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 0.8 OUTLIER -147.97 177.15 9.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.862 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.481 ' CG1' ' O ' ' A' ' 42' ' ' SER . 20.3 mt -160.03 105.02 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.123 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.1 t -73.38 94.36 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.079 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 74.9 t -87.08 99.95 9.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.432 ' HA ' ' CB ' ' A' ' 82' ' ' TYR . 8.5 t -106.51 137.43 44.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.825 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.454 ' HB2' ' CD2' ' A' ' 98' ' ' LEU . 49.0 p90 -133.28 -175.65 3.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -144.76 159.17 51.53 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.634 0.73 . . . . 0.0 111.134 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 157.72 59.38 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.68 2.253 . . . . 0.0 112.315 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 136.51 33.16 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.63 2.22 . . . . 0.0 112.366 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -41.83 -44.21 3.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -73.59 108.71 6.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -95.52 38.03 1.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.513 ' C ' ' ND2' ' A' ' 54' ' ' ASN . 0.1 OUTLIER -115.93 -25.25 7.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 8.0 mt -83.54 146.91 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 83.8 t -83.35 126.56 40.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.143 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 56.7 t -114.35 125.05 71.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.101 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -96.97 -21.03 17.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 162.12 -177.26 38.38 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.495 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.442 ' CD1' ' N ' ' A' ' 60' ' ' TYR . 0.6 OUTLIER -133.76 146.28 50.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.917 0.389 . . . . 0.0 110.923 -179.795 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -105.6 132.0 52.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.1 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 14.9 mt -106.67 129.38 60.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -116.51 123.3 5.79 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.5 ' CZ ' ' CB ' ' A' ' 72' ' ' GLN . 10.4 p90 -134.21 150.34 51.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.981 0.419 . . . . 0.0 110.905 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 166.56 153.68 7.94 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.495 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.513 HD12 ' CE1' ' A' ' 94' ' ' TYR . 17.9 mm -71.77 92.95 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.849 0.357 . . . . 0.0 111.123 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.81 -41.42 2.23 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.503 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.3 m -148.61 141.98 15.82 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.638 0.732 . . . . 0.0 110.894 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.402 ' HG3' ' CG2' ' A' ' 97' ' ' THR . 53.3 Cg_endo -69.78 0.55 5.5 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.636 2.224 . . . . 0.0 112.34 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.431 ' O ' ' C ' ' A' ' 71' ' ' ALA . 13.0 m170 -72.54 -36.61 68.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.868 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 70' ' ' HIS . . . -34.3 -58.43 0.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.059 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.5 ' CB ' ' CZ ' ' A' ' 64' ' ' TYR . 19.2 mt-30 -134.67 153.64 51.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 89.9 m -141.56 127.33 19.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 69.8 mt -132.14 111.22 17.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.3 pttp -111.37 127.7 55.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.6 m -111.5 -178.95 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -68.92 -173.93 0.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -84.12 -17.18 40.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.1 mmtt -88.52 38.77 0.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.912 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.427 ' O ' ' CZ2' ' A' ' 47' ' ' TRP . 45.7 mm-40 -126.76 111.03 13.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -75.12 -38.84 60.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.441 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 26.5 p90 -153.01 176.62 11.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.927 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -142.06 133.79 27.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 55.2 m -95.67 96.91 9.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.17 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.417 ' CG2' HD13 ' A' ' 88' ' ' LEU . 56.7 mt -79.4 97.63 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.153 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -99.74 170.69 8.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 72.68 44.71 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.417 HD13 ' CG2' ' A' ' 85' ' ' ILE . 56.0 mt -112.69 162.65 15.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -85.37 116.76 66.87 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.576 0.703 . . . . 0.0 110.878 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.461 ' CB ' ' HB2' ' A' ' 119' ' ' HIS . 53.8 Cg_endo -69.77 156.32 63.63 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.698 2.265 . . . . 0.0 112.337 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.9 t 66.88 54.75 0.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.1 p -166.07 147.79 6.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -83.25 140.59 32.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.513 ' CE1' HD12 ' A' ' 66' ' ' ILE . 12.5 m-85 -131.26 134.04 46.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 88.0 t -98.42 109.6 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.17 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 3.5 mp -96.04 138.93 20.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.402 ' CG2' ' HG3' ' A' ' 69' ' ' PRO . 41.3 p -135.89 134.03 38.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.454 ' CD2' ' HB2' ' A' ' 47' ' ' TRP . 5.5 tp -124.65 141.52 52.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -150.88 140.21 21.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.27 131.94 35.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -134.07 142.97 47.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 36.8 p-10 -128.61 -174.98 3.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -50.39 -27.33 6.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.453 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 98.1 t -79.77 -50.04 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.096 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.414 ' C ' HG13 ' A' ' 27' ' ' VAL . . . 164.62 -166.65 38.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.517 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -107.26 166.06 10.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.865 0.364 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -109.09 -124.88 5.02 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.491 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.26 121.06 42.64 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.604 0.716 . . . . 0.0 111.121 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 171.18 14.98 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.707 2.272 . . . . 0.0 112.352 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 84.9 mt -110.34 178.13 4.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -136.33 129.23 31.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -139.68 178.25 7.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 60.6 p -140.48 142.29 35.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -156.84 117.58 3.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 99.0 t -100.14 102.3 13.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 81.9 p -46.66 132.54 10.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.41 154.67 22.15 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.606 0.717 . . . . 0.0 110.859 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 111.62 2.86 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.691 2.261 . . . . 0.0 112.34 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.461 ' HB2' ' CB ' ' A' ' 90' ' ' PRO . 26.4 t60 -73.04 -61.59 1.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 121' ' ' SER . 68.1 p -91.29 37.53 0.95 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 120' ' ' THR . 47.4 t -34.61 -48.97 0.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.819 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -165.8 172.62 41.29 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.47 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -18.54 37.23 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.716 2.278 . . . . 0.0 112.365 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 63.9 p -68.56 147.26 52.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.9 t -125.35 139.61 53.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.465 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.419 -0.272 . . . . 0.0 112.419 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.4 t -174.53 150.48 1.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 0.0 110.879 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.1 m -141.84 175.95 9.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.96 80.69 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.1 t -125.3 133.36 52.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.877 0.37 . . . . 0.0 110.867 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.1 t -165.63 159.43 16.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.852 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.49 79.54 0.34 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -3.78 12.71 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.622 2.214 . . . . 0.0 112.344 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.21 91.9 1.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.09 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.0 p -116.27 41.33 2.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -100.93 89.33 3.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 86.2 m95 -132.13 88.32 2.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.2 -34.73 14.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.936 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.0 m -64.1 94.5 0.11 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -108.79 92.6 4.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.07 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -125.96 142.33 51.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.2 m -107.99 110.29 21.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.479 ' O ' ' CG ' ' A' ' 18' ' ' PHE . 52.4 t80 -99.63 42.97 1.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -114.83 33.8 5.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 81.0 p -82.97 -26.87 30.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -135.02 92.53 2.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.0 mt -148.75 160.56 43.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -101.66 82.3 2.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 26' ' ' ARG . 1.8 tm-20 -92.94 -32.2 14.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.0 t -42.25 -23.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 24' ' ' GLU . 16.6 ptt180 -108.92 139.59 43.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.2 m -68.48 147.41 98.11 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.588 0.709 . . . . 0.0 111.152 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 98.05 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.707 2.271 . . . . 0.0 112.34 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -48.8 165.78 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.911 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.5 p -38.88 136.81 0.93 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.653 0.74 . . . . 0.0 111.127 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 164.18 35.47 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.677 2.251 . . . . 0.0 112.402 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.4 p -45.04 -47.94 11.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 81.2 p -175.32 -177.19 1.0 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.848 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.5 tp -150.91 112.91 4.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 38.7 t-80 -98.3 146.05 26.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.3 m -136.95 136.22 47.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.102 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.77 110.29 40.48 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.609 0.719 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 121.78 8.46 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.688 2.259 . . . . 0.0 112.325 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.517 ' O ' ' C ' ' A' ' 40' ' ' VAL . 2.5 mp -114.38 154.9 27.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.517 ' C ' ' O ' ' A' ' 39' ' ' LEU . 97.7 t -27.49 -69.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.5 p -119.2 0.44 11.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.486 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 4.2 p -120.28 -177.87 3.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.486 ' CG1' ' O ' ' A' ' 42' ' ' SER . 39.3 mt -159.91 105.01 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.127 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 85.0 t -71.92 113.89 9.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 96.9 t -107.3 100.84 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.147 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 t -106.72 128.54 54.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.5 ' CZ3' HD13 ' A' ' 62' ' ' ILE . 47.8 p90 -126.15 178.01 6.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 40.0 p -142.15 153.28 63.19 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.599 0.714 . . . . 0.0 111.104 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 160.21 50.56 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.689 2.26 . . . . 0.0 112.35 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 133.36 25.38 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.65 2.233 . . . . 0.0 112.314 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -38.56 -39.47 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -78.54 62.43 3.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -45.52 -29.23 1.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -46.45 -36.45 6.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 35.7 mt -74.28 121.67 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.7 t -59.88 146.74 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 94.5 t -136.3 112.02 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.151 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.0 mmt85 -77.69 -42.32 34.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 179.35 -177.02 48.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.504 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -127.7 173.23 10.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.895 0.378 . . . . 0.0 110.944 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -132.28 112.01 11.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.083 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.5 HD13 ' CZ3' ' A' ' 47' ' ' TRP . 30.5 mt -96.55 123.44 48.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -120.86 127.61 7.07 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.474 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' A' ' 64' ' ' TYR . 2.9 p90 -121.15 160.62 23.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.883 0.373 . . . . 0.0 110.989 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 163.78 121.64 0.57 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.469 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 66.6 mt -47.77 122.47 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 0.0 111.154 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.21 -45.8 2.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.462 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.568 ' HB2' ' CD2' ' A' ' 70' ' ' HIS . 23.2 m -138.89 130.55 15.36 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.671 0.748 . . . . 0.0 110.831 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 0.29 5.89 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.692 2.261 . . . . 0.0 112.324 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.568 ' CD2' ' HB2' ' A' ' 68' ' ' SER . 0.6 OUTLIER -81.6 49.09 1.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -115.92 -55.1 2.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.057 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -139.01 166.99 23.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.0 m -141.98 136.38 30.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.12 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.559 HD12 ' CE1' ' A' ' 83' ' ' TYR . 87.6 mt -125.9 114.87 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.088 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 32.6 mmtt -101.29 116.69 33.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 31.5 m -118.87 167.88 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -78.28 165.99 23.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.804 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.51 ' CE2' ' HG3' ' A' ' 79' ' ' LYS . 27.7 p90 -57.87 -46.15 85.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.51 ' HG3' ' CE2' ' A' ' 78' ' ' TYR . 22.8 mttm -44.34 -47.14 9.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.855 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -53.25 112.16 0.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.93 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.69 -39.33 27.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.864 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.443 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 53.3 p90 -143.11 175.35 9.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.559 ' CE1' HD12 ' A' ' 74' ' ' ILE . 27.4 t80 -139.32 131.52 28.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 91.5 m -98.38 93.15 6.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.141 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 53.3 mt -71.8 114.91 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -112.72 172.45 6.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 69.98 48.53 0.54 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 16.6 mt -117.96 170.55 8.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -95.56 119.95 64.37 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.592 0.711 . . . . 0.0 110.854 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 152.9 69.65 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.657 2.238 . . . . 0.0 112.351 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.1 t 69.64 47.27 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.7 t -157.26 146.35 19.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.432 ' CD2' ' N ' ' A' ' 94' ' ' TYR . 4.6 t-160 -79.59 136.12 36.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.828 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.432 ' N ' ' CD2' ' A' ' 93' ' ' HIS . 19.9 m-85 -130.01 118.1 21.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 44.7 t -87.73 115.23 27.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.161 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.462 HG23 ' N ' ' A' ' 97' ' ' THR . 3.2 mp -103.59 140.26 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.462 ' N ' HG23 ' A' ' 96' ' ' ILE . 22.1 p -127.59 155.81 43.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.446 ' CD2' ' HB2' ' A' ' 47' ' ' TRP . 5.6 tp -145.08 129.93 18.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.922 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.1 ptpp? -134.03 130.5 37.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -84.75 121.41 27.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.467 ' CB ' ' HA ' ' A' ' 106' ' ' GLU . 7.1 p90 -123.56 164.73 18.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 39.1 p-10 -152.09 -176.9 5.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -54.08 -32.36 54.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 83.9 t -72.53 -49.56 40.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 174.78 -177.43 46.87 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.506 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.467 ' HA ' ' CB ' ' A' ' 101' ' ' PHE . 9.6 mp0 -86.58 166.34 15.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.883 0.373 . . . . 0.0 110.86 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -114.13 -158.08 12.37 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 3.7 mm -89.15 124.31 65.16 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.599 0.714 . . . . 0.0 111.13 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 167.64 23.94 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.71 2.273 . . . . 0.0 112.308 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 26.5 mt -118.89 156.46 29.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -115.53 125.09 52.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -137.29 175.32 9.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 72.8 m -142.07 142.25 32.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.815 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -153.01 112.16 3.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.093 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 65.1 t -97.24 114.37 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.18 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 17.7 p -57.36 143.81 38.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 29.9 mtp180 -71.16 156.94 91.21 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.607 0.717 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 96.18 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.694 2.263 . . . . 0.0 112.351 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -39.67 124.83 1.73 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.827 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 74.1 p -86.88 133.41 33.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.103 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 61.1 p -92.62 -49.88 5.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 159.84 -176.86 36.52 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.463 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 172.79 12.04 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.695 2.264 . . . . 0.0 112.306 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 73.5 p -94.56 136.98 34.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 77.8 p -133.47 167.03 21.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.838 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.492 -179.955 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.4 m -104.44 -61.9 1.39 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.887 0.375 . . . . 0.0 110.898 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.8 m -98.34 176.49 5.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.84 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.63 110.31 0.4 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.474 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.0 t -115.19 -62.64 1.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.873 0.368 . . . . 0.0 110.886 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.5 m 44.13 42.58 5.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.53 80.17 0.27 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.541 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 175.13 8.52 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.7 2.267 . . . . 0.0 112.323 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -172.35 123.71 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.8 t -170.32 145.64 2.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -150.45 132.32 15.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.411 ' O ' ' C ' ' A' ' 13' ' ' LEU . 99.1 m95 -117.99 -54.63 2.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 12' ' ' TRP . 1.3 pt? 36.64 44.29 0.32 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 66.3 m -48.56 97.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -172.78 135.82 0.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.117 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -104.17 75.88 1.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 44.8 p 42.93 39.4 1.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -51.15 -68.95 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -170.35 125.11 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.7 t -84.13 34.32 0.51 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -127.55 24.18 6.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.425 ' N ' HD21 ' A' ' 22' ' ' LEU . 4.5 mm? -94.72 170.06 9.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -129.29 126.6 39.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -121.56 27.92 7.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.9 t -99.99 -22.74 15.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.173 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 37.7 ptt180 -121.64 157.11 31.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.7 m -83.55 146.69 50.72 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.657 0.741 . . . . 0.0 111.117 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 104.04 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.307 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -49.91 -178.8 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.465 ' CG2' ' HD2' ' A' ' 31' ' ' PRO . 4.4 p -47.25 138.64 7.99 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.678 0.752 . . . . 0.0 111.102 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.465 ' HD2' ' CG2' ' A' ' 30' ' ' VAL . 53.7 Cg_endo -69.79 167.95 23.01 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.619 2.212 . . . . 0.0 112.315 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.6 m -48.01 -53.29 16.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.852 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 t -170.2 -177.82 2.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.0 tp -153.82 114.79 4.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -106.28 140.08 39.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.829 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.5 m -132.51 134.13 59.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.8 ttm-85 -116.99 108.71 43.79 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.622 0.725 . . . . 0.0 110.84 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 126.45 13.32 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.643 2.229 . . . . 0.0 112.391 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.473 ' O ' ' C ' ' A' ' 40' ' ' VAL . 3.3 mp -119.98 154.4 34.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.929 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.473 ' C ' ' O ' ' A' ' 39' ' ' LEU . 59.5 t -31.49 -74.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 47.7 p -115.02 25.77 10.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.424 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 9.5 p -150.0 179.55 7.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.816 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.424 ' CG1' ' O ' ' A' ' 42' ' ' SER . 54.9 mt -158.24 108.68 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.127 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 89.9 t -81.72 95.32 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 83.1 t -88.91 100.13 10.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.1 t -104.88 127.84 52.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.824 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.555 ' CZ3' HD12 ' A' ' 62' ' ' ILE . 49.3 p90 -123.14 -175.02 3.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.1 p -142.8 157.69 61.04 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.547 0.689 . . . . 0.0 111.154 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 160.1 50.95 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.68 2.253 . . . . 0.0 112.345 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 51' ' ' GLU . 54.1 Cg_endo -69.73 123.99 10.65 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.725 2.284 . . . . 0.0 112.323 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 50' ' ' PRO . 5.9 mt-10 -34.22 -39.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.656 ' ND2' HD22 ' A' ' 54' ' ' ASN . 6.4 t-20 -88.42 126.9 35.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.501 ' O ' ' N ' ' A' ' 55' ' ' ILE . 1.3 mp0 -97.12 -35.97 10.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.656 HD22 ' ND2' ' A' ' 52' ' ' ASN . 0.1 OUTLIER -37.6 -27.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.962 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.501 ' N ' ' O ' ' A' ' 53' ' ' GLN . 92.4 mt -80.11 136.99 22.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.114 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.476 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 76.7 t -81.2 112.7 19.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.155 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 98.5 t -104.18 129.47 56.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -100.73 -45.45 5.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -171.36 171.54 44.04 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.516 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -122.73 164.37 18.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.92 0.39 . . . . 0.0 110.927 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -120.68 142.45 49.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.07 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.555 HD12 ' CZ3' ' A' ' 47' ' ' TRP . 14.3 mt -121.81 105.03 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -105.44 125.36 8.24 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -126.16 164.44 20.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.945 0.402 . . . . 0.0 110.892 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 152.26 131.86 1.75 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.534 HD11 ' CE2' ' A' ' 94' ' ' TYR . 5.1 mp -62.49 136.1 26.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.869 0.366 . . . . 0.0 111.156 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 81.04 -44.43 3.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.469 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.7 m -158.14 139.24 9.53 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.69 0.757 . . . . 0.0 110.862 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 0.18 5.99 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.651 2.234 . . . . 0.0 112.383 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -82.3 42.92 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -118.77 -67.61 0.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.42 ' NE2' ' HA ' ' A' ' 72' ' ' GLN . 5.4 mm-40 -131.47 146.24 52.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.5 t -142.61 153.05 43.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 31.2 mt -139.03 117.9 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.169 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 52.5 mttm -99.27 120.31 39.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 28.2 m -125.37 166.04 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -57.66 167.57 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -70.79 -44.83 65.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.4 mttp -40.7 -43.31 1.93 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.893 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -52.32 116.08 2.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.9 tmm_? -82.59 -39.22 22.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 25.5 p90 -143.46 167.78 21.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -138.67 126.38 22.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 89.6 m -101.65 105.49 16.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.161 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 41.1 mt -81.02 134.82 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.454 ' O ' ' CG ' ' A' ' 87' ' ' ASN . 43.6 mt-10 -117.4 -174.8 2.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.454 ' CG ' ' O ' ' A' ' 86' ' ' GLU . 0.5 OUTLIER 48.52 49.01 18.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 53.1 mt -109.51 179.41 4.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -111.12 122.67 37.22 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.522 0.677 . . . . 0.0 110.884 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -179.53 2.96 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.673 2.249 . . . . 0.0 112.369 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.2 p 42.46 40.56 1.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.8 m -144.33 133.52 22.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.863 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.422 ' CE1' HG22 ' A' ' 95' ' ' VAL . 3.7 t-80 -80.1 123.19 27.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.534 ' CE2' HD11 ' A' ' 66' ' ' ILE . 22.6 m-85 -114.41 129.54 56.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.422 HG22 ' CE1' ' A' ' 93' ' ' HIS . 59.4 t -98.12 107.66 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.11 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.419 ' CD1' ' N ' ' A' ' 96' ' ' ILE . 2.9 mp -93.82 140.87 15.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.411 ' N ' HG21 ' A' ' 96' ' ' ILE . 21.2 p -134.51 127.63 31.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.138 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.456 ' CD2' ' HB2' ' A' ' 47' ' ' TRP . 7.1 tp -118.06 140.94 49.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -146.43 137.16 24.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.35 130.16 34.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.131 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -138.76 141.91 38.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 56' ' ' VAL . 35.2 p-10 -126.54 -175.08 3.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -44.48 -28.32 0.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 10.6 t -77.86 -50.03 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.136 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 160.56 -173.12 37.07 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.5 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -96.32 161.99 13.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.898 0.38 . . . . 0.0 110.879 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -108.62 -123.93 4.92 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.454 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -107.81 121.43 44.06 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.636 0.731 . . . . 0.0 111.143 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 170.78 15.78 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.707 2.272 . . . . 0.0 112.341 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 23.4 mt -112.19 171.66 7.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -128.0 118.92 24.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -127.22 -179.22 4.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.851 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 52.7 p -142.0 150.0 40.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.817 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -161.4 111.01 1.61 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.115 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 92.9 t -100.46 107.58 21.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.117 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 37.3 p -64.02 128.76 37.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -61.54 154.96 62.24 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.624 0.726 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 118.38 5.65 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.657 2.238 . . . . 0.0 112.39 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -64.26 88.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.816 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 66.6 p -110.29 99.42 8.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 51.1 m 50.99 42.1 28.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 42.74 -154.86 0.15 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.534 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 2.55 3.44 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.715 2.277 . . . . 0.0 112.348 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 32.6 t -90.55 117.3 29.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 126' ' ' GLY . 1.3 t -111.89 146.49 37.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.854 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 125' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.501 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.5 m -51.2 -47.52 62.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.9 0.381 . . . . 0.0 110.834 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t -106.89 161.9 14.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.822 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.38 -94.89 0.13 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.444 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.4 m 61.81 41.37 11.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.821 0.343 . . . . 0.0 110.841 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.8 p -160.81 144.52 13.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.825 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.0 -154.63 12.7 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 152.32 69.2 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.7 2.267 . . . . 0.0 112.331 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -112.12 147.46 36.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.081 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 43.1 m -69.59 136.78 51.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -131.29 141.78 50.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 8.1 p-90 -133.35 151.45 51.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.414 HD22 ' N ' ' A' ' 13' ' ' LEU . 2.7 pt? -130.58 177.23 7.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 t -111.32 173.0 6.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.12 -62.61 0.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.121 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -82.28 98.78 8.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 58.0 p -146.77 116.1 7.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.117 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -83.01 170.65 14.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 21' ' ' ASP . 70.0 mm-40 -69.84 130.79 43.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 19' ' ' GLU . 27.1 t 36.28 31.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 19' ' ' GLU . 11.9 m-20 62.13 53.03 3.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 21.0 mt -41.35 155.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -95.36 114.72 26.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.821 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -123.45 34.2 5.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.1 t -108.44 -11.63 15.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.3 ptt180 -138.56 155.6 48.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.827 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.471 HG13 ' N ' ' A' ' 105' ' ' GLY . 13.6 m -79.38 144.51 62.04 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.654 0.74 . . . . 0.0 111.16 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.423 ' HD3' ' CG ' ' A' ' 102' ' ' ASN . 53.9 Cg_endo -69.72 100.69 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.717 2.278 . . . . 0.0 112.338 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -50.73 174.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.403 ' CG2' ' HD2' ' A' ' 31' ' ' PRO . 3.6 p -40.99 137.44 1.48 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.643 0.735 . . . . 0.0 111.099 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.403 ' HD2' ' CG2' ' A' ' 30' ' ' VAL . 53.7 Cg_endo -69.81 172.4 12.75 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.626 2.217 . . . . 0.0 112.335 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.9 t -49.35 -47.84 47.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 74.9 p -174.59 -176.04 1.01 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.875 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.5 tp -154.56 114.29 3.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.423 ' CE1' ' HG3' ' A' ' 37' ' ' ARG . 8.1 t-80 -106.04 147.58 28.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.2 m -137.01 139.13 44.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.423 ' HG3' ' CE1' ' A' ' 35' ' ' HIS . 23.5 mtt-85 -116.4 107.85 46.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.611 0.72 . . . . 0.0 110.859 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 123.43 10.1 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.739 2.293 . . . . 0.0 112.313 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.492 ' O ' ' C ' ' A' ' 40' ' ' VAL . 6.1 mp -118.88 154.54 32.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.492 ' C ' ' O ' ' A' ' 39' ' ' LEU . 99.9 t -29.81 -73.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 76.1 p -117.28 25.34 10.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.166 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.451 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 2.9 t -148.5 179.64 7.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.814 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.464 HG13 ' CD1' ' A' ' 88' ' ' LEU . 53.7 mt -158.82 107.01 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.103 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 75.8 t -78.0 92.52 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 62.5 t -82.91 104.06 11.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.13 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 73.8 p -108.12 124.36 50.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.433 ' CZ3' ' HA ' ' A' ' 82' ' ' TYR . 48.6 p90 -121.2 175.17 6.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.0 p -133.13 156.89 79.5 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.565 0.697 . . . . 0.0 111.122 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 160.28 50.28 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.663 2.242 . . . . 0.0 112.35 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 51' ' ' GLU . 54.0 Cg_endo -69.71 124.56 11.23 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.67 2.247 . . . . 0.0 112.382 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 50' ' ' PRO . 9.2 mt-10 -36.14 -37.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 31.8 t-20 -89.48 94.36 9.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.923 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 54' ' ' ASN . 18.4 mm100 -69.07 -40.4 78.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 53' ' ' GLN . 31.2 m120 -36.37 -40.16 0.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 73.8 mt -69.5 139.05 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.133 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 73.4 t -74.24 136.46 25.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 65.4 t -134.83 115.48 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.114 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -83.59 -46.72 12.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.811 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -171.38 -168.07 32.49 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.438 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -138.62 144.63 39.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.877 0.37 . . . . 0.0 110.96 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -102.88 117.67 35.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.112 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 54.0 mt -94.48 126.94 46.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -118.16 119.56 4.43 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.519 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 40.4 p90 -128.88 150.81 50.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.964 0.411 . . . . 0.0 110.903 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 163.65 134.97 1.73 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.478 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.53 HG13 ' CE2' ' A' ' 94' ' ' TYR . 55.5 mt -57.48 120.14 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.867 0.365 . . . . 0.0 111.137 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.01 -53.44 3.95 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.493 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 44.3 m -140.19 139.19 20.45 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.654 0.74 . . . . 0.0 110.847 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.66 0.69 5.21 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.679 2.253 . . . . 0.0 112.392 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -83.57 42.45 0.84 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -108.59 -52.15 2.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.089 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -149.88 148.13 28.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 66.0 m -130.96 132.98 45.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.177 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 78.5 mt -120.16 110.07 27.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -90.34 125.97 35.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 18.6 m -136.72 154.99 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -60.78 164.31 4.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.446 ' O ' ' C ' ' A' ' 79' ' ' LYS . 35.1 p90 -58.71 -49.9 75.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.957 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 78' ' ' TYR . 34.9 mmtm -34.1 -49.14 0.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 53.4 mm-40 -49.42 116.99 1.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.14 -37.1 17.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.433 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 25.1 p90 -146.93 169.57 18.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -140.95 129.89 23.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.908 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 85.9 m -94.0 98.98 11.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.119 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 49.3 mt -77.61 100.32 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.127 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -95.62 175.96 6.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.936 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 67.75 48.38 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.464 ' CD1' HG13 ' A' ' 43' ' ' ILE . 19.6 mt -117.81 165.85 13.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -91.11 124.13 62.54 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.639 0.733 . . . . 0.0 110.864 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 144.29 53.69 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.69 2.26 . . . . 0.0 112.335 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t 69.51 44.12 0.94 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.7 m -142.01 142.12 32.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.824 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -79.72 132.81 36.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.84 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.53 ' CE2' HG13 ' A' ' 66' ' ' ILE . 34.4 m-85 -130.49 131.9 45.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 95.4 t -98.86 105.0 16.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.092 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.465 HG21 ' N ' ' A' ' 97' ' ' THR . 5.1 mp -91.54 139.2 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.465 ' N ' HG21 ' A' ' 96' ' ' ILE . 53.8 p -131.42 158.34 41.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.405 HD23 ' CB ' ' A' ' 47' ' ' TRP . 5.0 tp -150.79 132.63 15.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -135.99 131.51 35.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -84.76 124.51 31.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 43.2 p90 -134.09 146.67 50.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.423 ' CG ' ' HD3' ' A' ' 28' ' ' PRO . 52.5 p-10 -134.69 -174.74 3.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -48.46 -24.41 1.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 23.2 t -80.11 -50.11 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.471 ' N ' HG13 ' A' ' 27' ' ' VAL . . . 167.35 -169.13 40.89 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.477 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -108.06 145.07 34.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.891 0.377 . . . . 0.0 110.884 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -91.12 -134.76 6.18 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.498 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.443 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -105.67 128.27 26.83 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.645 0.736 . . . . 0.0 111.098 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 173.25 11.2 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.68 2.254 . . . . 0.0 112.349 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 73.0 mt -117.63 159.66 22.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.451 ' C ' ' OE1' ' A' ' 112' ' ' GLU . 6.2 m-85 -117.07 121.94 42.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.451 ' OE1' ' C ' ' A' ' 111' ' ' TYR . 0.5 OUTLIER -125.67 172.2 9.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 54.9 p -142.07 134.91 28.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.885 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -161.38 121.58 2.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.083 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 95.4 t -103.58 105.45 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 27.6 p -45.42 136.66 5.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.179 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -67.02 154.22 92.95 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.602 0.715 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 130.7 19.79 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.725 2.283 . . . . 0.0 112.301 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 18.1 t-80 -65.67 141.56 58.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.831 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 76.3 p -123.26 169.2 11.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.168 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.1 m -129.16 130.35 46.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -70.8 119.26 8.1 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.494 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 137.18 34.63 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.66 2.24 . . . . 0.0 112.364 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.4 t -80.76 155.32 26.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 84.7 p -39.52 -46.64 1.76 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.435 179.978 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.6 m -156.61 147.17 21.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.848 0.356 . . . . 0.0 110.846 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -156.93 150.8 24.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.33 -177.08 40.27 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.511 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.4 p -149.54 153.18 36.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.899 0.38 . . . . 0.0 110.89 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.6 m -98.01 166.08 11.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.53 136.0 4.98 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.517 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 160.79 48.4 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.691 2.261 . . . . 0.0 112.353 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -47.94 156.69 0.33 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.071 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.3 t -128.93 134.0 48.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -107.94 -55.72 2.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 49.3 m95 -127.01 118.05 23.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.6 mp -53.13 117.11 2.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 t -40.81 142.21 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -94.67 39.94 1.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.091 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -41.46 104.99 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.6 p -58.89 122.59 14.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.16 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -91.93 112.99 25.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -63.97 149.88 46.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 t -88.21 44.27 1.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -109.13 33.98 3.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -106.58 166.12 10.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -69.5 115.95 9.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -125.03 37.44 4.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.2 t -117.59 -10.66 10.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.145 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -127.5 151.97 48.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.1 m -86.79 146.41 41.04 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.633 0.73 . . . . 0.0 111.132 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 107.36 1.83 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.692 2.261 . . . . 0.0 112.372 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 30' ' ' VAL . 1.8 pp20? -62.7 168.07 4.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.836 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.465 HG22 ' CD2' ' A' ' 110' ' ' LEU . 2.9 p -34.86 136.15 0.4 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.583 0.706 . . . . 0.0 111.133 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.457 ' HG2' ' CD1' ' A' ' 110' ' ' LEU . 54.0 Cg_endo -69.7 -179.2 2.72 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.681 2.254 . . . . 0.0 112.384 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.7 p -61.56 -43.63 98.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.843 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.7 m -174.98 -178.42 1.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 tp -147.44 116.23 6.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.932 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -105.75 137.01 44.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.471 ' CG2' ' HG3' ' A' ' 112' ' ' GLU . 3.6 m -134.95 129.82 51.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -111.04 110.52 56.65 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.586 0.708 . . . . 0.0 110.827 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 122.31 8.98 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.646 2.231 . . . . 0.0 112.347 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.458 ' O ' ' C ' ' A' ' 40' ' ' VAL . 3.3 mp -115.88 154.16 30.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.458 ' C ' ' O ' ' A' ' 39' ' ' LEU . 66.1 t -33.03 -75.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.114 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 34.8 p -113.08 25.04 11.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.133 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.5 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 12.9 p -150.9 -178.39 6.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.5 ' CG1' ' O ' ' A' ' 42' ' ' SER . 21.9 mt -160.58 106.8 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.145 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 97.0 t -76.27 100.4 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 45.0 t -92.18 100.37 11.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.138 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -106.17 124.31 49.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.452 ' CZ3' HD13 ' A' ' 62' ' ' ILE . 47.8 p90 -120.77 -178.54 3.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.884 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -143.77 153.7 58.14 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.545 0.688 . . . . 0.0 111.153 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 158.18 57.75 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.669 2.246 . . . . 0.0 112.324 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 144.11 53.07 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.708 2.272 . . . . 0.0 112.324 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -41.52 -40.7 1.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -75.26 100.02 4.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -88.32 25.33 1.67 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -110.16 -22.08 11.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 73.1 mt -76.55 125.94 36.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.9 t -66.19 112.65 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 45.9 t -112.43 117.98 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.11 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -83.5 -24.44 31.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 165.26 -171.11 40.49 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.512 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -132.12 157.93 42.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.904 0.383 . . . . 0.0 110.887 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.4 107.43 13.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.122 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.452 HD13 ' CZ3' ' A' ' 47' ' ' TRP . 12.3 mt -89.36 155.84 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.433 ' N ' HG22 ' A' ' 62' ' ' ILE . . . -145.94 139.85 8.48 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.521 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 55.1 p90 -139.48 154.89 47.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.968 0.414 . . . . 0.0 110.906 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 164.98 160.26 12.2 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.486 HD13 ' CZ ' ' A' ' 94' ' ' TYR . 43.6 mm -81.41 102.48 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.819 0.342 . . . . 0.0 111.136 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.55 -41.13 2.21 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.511 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.2 t -148.12 137.99 12.52 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.653 0.74 . . . . 0.0 110.862 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -15.4 36.95 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.728 2.285 . . . . 0.0 112.33 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.406 ' CD2' ' N ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -55.75 -19.93 12.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.911 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.406 ' N ' ' CD2' ' A' ' 70' ' ' HIS . . . -48.07 -64.7 0.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.099 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -132.92 153.46 51.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 63.8 m -139.79 129.82 24.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 77.8 mt -121.37 124.5 72.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.162 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.4 mttp -112.15 129.35 56.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 24.5 m -132.91 172.89 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.091 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -65.22 175.94 1.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.501 ' CE1' ' HG3' ' A' ' 79' ' ' LYS . 39.5 p90 -77.32 -39.85 46.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.501 ' HG3' ' CE1' ' A' ' 78' ' ' TYR . 52.2 mttt -44.45 -37.12 3.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.945 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -68.12 125.02 25.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.918 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.91 -11.7 16.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.444 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 4.1 p90 -155.87 158.86 38.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.943 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -138.87 128.79 25.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.942 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 80.1 m -94.29 100.89 12.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.158 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 44.3 mt -79.31 130.92 35.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -124.28 171.95 9.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 69.81 51.68 0.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 13.4 mt -120.36 175.43 5.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.938 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -100.85 122.65 48.27 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.657 0.741 . . . . 0.0 110.849 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 155.24 66.39 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.646 2.231 . . . . 0.0 112.344 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 27.1 t 60.5 51.76 5.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.814 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.4 m -153.78 144.64 22.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.431 ' CD2' ' N ' ' A' ' 94' ' ' TYR . 4.3 t-160 -81.4 131.06 35.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.486 ' CZ ' HD13 ' A' ' 66' ' ' ILE . 26.3 m-85 -126.25 130.93 51.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 83.7 t -94.16 111.37 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.136 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 3.0 mp -99.33 142.47 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.173 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 72.9 p -138.25 152.87 48.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.437 ' CD2' ' HB2' ' A' ' 47' ' ' TRP . 5.5 tp -143.18 137.22 28.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -140.53 140.07 35.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -85.51 136.58 33.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.066 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.487 ' CD1' ' C ' ' A' ' 101' ' ' PHE . 4.3 p90 -134.16 167.34 20.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 29.2 p-10 -170.73 177.47 3.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -49.94 -26.89 4.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 61.6 t -75.86 -43.83 39.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.081 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 160.92 -155.58 26.78 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.472 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -114.09 159.01 20.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.906 0.384 . . . . 0.0 110.874 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -106.77 -146.01 12.97 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.47 HD13 ' N ' ' A' ' 108' ' ' ILE . 0.0 OUTLIER -103.39 123.98 39.72 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.641 0.734 . . . . 0.0 111.102 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 163.7 37.31 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.671 2.248 . . . . 0.0 112.328 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.465 ' CD2' HG22 ' A' ' 30' ' ' VAL . 27.0 mt -111.64 163.65 13.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -118.58 108.15 14.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.471 ' HG3' ' CG2' ' A' ' 36' ' ' VAL . 4.9 tp10 -114.97 175.36 5.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 79.2 p -138.97 148.74 43.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.848 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -164.61 111.16 1.02 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.055 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 42.3 t -93.63 106.6 18.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 26.0 p -53.09 136.56 35.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.197 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 74.4 mtt-85 -66.57 148.97 98.49 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.591 0.71 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 129.18 17.22 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.733 2.289 . . . . 0.0 112.345 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -75.39 78.74 2.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 13.4 t -96.93 -37.49 10.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 46.5 t -86.65 166.14 15.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.867 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -159.67 -156.42 8.11 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.453 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -4.31 13.8 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.729 2.286 . . . . 0.0 112.33 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.0 t -65.98 118.66 10.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.829 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 9.0 t -172.16 133.05 0.67 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.847 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.506 -179.935 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.2 p -149.14 175.24 11.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.86 0.362 . . . . 0.0 110.84 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 m -146.13 170.96 15.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.95 -162.14 11.71 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.8 p -167.11 174.9 7.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.855 0.359 . . . . 0.0 110.873 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m -135.91 171.51 14.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.05 97.92 0.22 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.513 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -174.7 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.689 2.259 . . . . 0.0 112.358 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -86.24 88.44 7.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 43.4 p -142.12 112.5 7.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.088 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.407 ' OD1' ' CD1' ' A' ' 12' ' ' TRP . 9.8 t70 -117.4 -45.56 2.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.84 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.407 ' CD1' ' OD1' ' A' ' 11' ' ' ASP . 1.9 m-90 -116.9 102.69 9.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.4 mp -72.1 -61.94 1.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.4 m -166.6 145.25 5.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -128.57 81.7 2.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.08 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -123.74 42.14 3.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.9 t -161.01 162.28 31.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -76.05 98.57 4.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -55.31 146.34 19.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.1 t -83.14 49.19 1.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -106.86 -47.48 3.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.6 mt -52.84 176.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -73.87 97.52 2.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.403 ' O ' ' CG2' ' A' ' 104' ' ' VAL . 9.1 tt0 -121.86 30.84 6.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.2 t -107.03 -18.99 13.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.178 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.0 ptt180 -125.98 147.69 49.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.3 m -76.61 142.75 70.85 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.663 0.744 . . . . 0.0 111.104 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 102.91 1.07 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.673 2.249 . . . . 0.0 112.343 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 30' ' ' VAL . 2.4 pt-20 -58.95 176.12 0.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.852 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.436 ' C ' ' O ' ' A' ' 29' ' ' GLU . 2.6 p -34.98 134.47 0.43 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.66 0.743 . . . . 0.0 111.106 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 179.32 3.77 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.702 2.268 . . . . 0.0 112.379 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.3 m -52.82 -48.34 67.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.832 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 74.6 p -174.46 -175.06 0.91 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.1 tp -150.87 124.92 9.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.935 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -112.95 139.29 48.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.7 m -135.47 141.4 42.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.163 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.1 ttm180 -122.13 109.95 33.14 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.578 0.704 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 114.81 3.83 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.67 2.246 . . . . 0.0 112.365 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.485 ' O ' ' C ' ' A' ' 40' ' ' VAL . 6.1 mp -109.02 154.52 22.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.485 ' C ' ' O ' ' A' ' 39' ' ' LEU . 85.8 t -30.57 -75.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 73.9 p -114.6 25.53 10.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.487 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 0.5 OUTLIER -151.75 -178.04 6.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.851 -179.863 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.487 ' CG1' ' O ' ' A' ' 42' ' ' SER . 36.9 mt -160.02 110.02 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.148 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 98.2 t -75.71 97.58 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.8 t -87.69 100.17 9.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.151 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.3 t -107.82 125.69 51.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.448 ' CZ3' HD12 ' A' ' 62' ' ' ILE . 47.0 p90 -124.24 -177.17 3.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.8 p -144.67 149.95 45.24 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.614 0.721 . . . . 0.0 111.114 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 161.66 45.07 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.683 2.255 . . . . 0.0 112.363 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.498 ' O ' ' N ' ' A' ' 52' ' ' ASN . 53.9 Cg_endo -69.69 121.45 8.16 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.661 2.241 . . . . 0.0 112.343 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 50' ' ' PRO . 4.3 mt-10 -35.07 -32.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.498 ' N ' ' O ' ' A' ' 50' ' ' PRO . 36.0 t-20 -86.56 88.98 7.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 54' ' ' ASN . 22.4 mm-40 -64.78 -38.64 91.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 53' ' ' GLN . 1.2 m-20 -35.09 -39.42 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 13.9 mt -71.7 126.76 32.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 71.6 t -66.65 142.17 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.105 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 85.9 t -141.27 119.88 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -89.44 -35.05 16.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.512 ' C ' ' CD1' ' A' ' 60' ' ' TYR . . . -179.03 -162.44 28.38 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.451 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.512 ' CD1' ' C ' ' A' ' 59' ' ' GLY . 2.5 m-85 -146.84 167.31 24.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.893 0.377 . . . . 0.0 110.907 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -121.35 132.85 55.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.091 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.448 HD12 ' CZ3' ' A' ' 47' ' ' TRP . 26.3 mt -114.13 120.96 65.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.127 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -115.93 129.86 8.74 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 24.6 p90 -132.08 150.53 52.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.936 0.398 . . . . 0.0 110.891 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 172.3 139.4 2.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.463 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 60.5 mt -56.97 100.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.88 0.372 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.24 -49.49 4.22 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.496 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 64.0 p -113.74 115.17 46.55 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.671 0.748 . . . . 0.0 110.858 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -4.95 15.01 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.692 2.261 . . . . 0.0 112.364 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 66.3 m-70 -86.7 39.17 0.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -103.45 -51.13 3.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.073 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.5 mp0 -136.78 157.93 45.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.7 m -137.02 133.95 36.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.147 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.417 HG23 ' CZ ' ' A' ' 83' ' ' TYR . 33.2 mt -120.56 120.84 63.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.14 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 46.8 mttt -103.99 138.5 40.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 34.4 m -145.18 -175.01 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.136 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.436 ' CB ' ' OE1' ' A' ' 80' ' ' GLN . 7.4 t0 -95.75 168.09 10.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -60.92 -36.7 79.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.947 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 20.1 mmtp -52.08 -43.19 63.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.436 ' OE1' ' CB ' ' A' ' 77' ' ' ASP . 2.7 mp0 -57.1 121.06 9.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.12 -35.46 11.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.416 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 6.4 p90 -142.64 167.18 22.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.417 ' CZ ' HG23 ' A' ' 74' ' ' ILE . 19.7 t80 -138.07 133.07 33.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.95 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 85.5 m -101.69 95.55 6.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 21.6 mt -76.7 111.95 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -104.65 174.33 5.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 67.01 48.93 1.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 84.7 mt -115.95 164.36 14.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.19 122.41 66.39 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.611 0.719 . . . . 0.0 110.885 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 166.24 28.27 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.667 2.245 . . . . 0.0 112.367 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.7 m 53.92 48.99 20.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.839 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 41.3 m -153.36 150.23 28.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.407 ' CD2' ' N ' ' A' ' 94' ' ' TYR . 6.1 t-160 -90.82 131.53 36.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.826 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.407 ' N ' ' CD2' ' A' ' 93' ' ' HIS . 31.4 m-85 -123.57 130.06 52.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.952 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 61.0 t -91.91 111.55 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.124 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.1 mp -98.5 137.88 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.09 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 80.6 p -135.01 145.92 48.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.131 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.425 ' CD2' ' HB2' ' A' ' 47' ' ' TRP . 4.5 tp -139.27 137.01 35.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.967 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -139.34 129.74 25.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.16 120.99 24.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.106 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.555 ' CD1' ' C ' ' A' ' 101' ' ' PHE . 1.2 p90 -124.74 146.59 49.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.836 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 48.7 p-10 -141.16 -176.02 4.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -44.96 -41.66 7.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.403 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 98.2 t -69.33 -50.05 55.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 162.06 -165.75 36.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.491 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.521 ' HB3' ' CB ' ' A' ' 101' ' ' PHE . 1.6 pm0 -118.54 158.51 25.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.871 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -101.11 -127.94 6.24 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.558 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.414 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -105.59 130.04 23.69 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.657 0.741 . . . . 0.0 111.126 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 175.56 7.95 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.691 2.261 . . . . 0.0 112.317 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 9.9 mt -109.19 174.4 5.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -136.26 118.25 15.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -129.86 170.73 13.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 17.8 p -134.54 137.73 44.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -150.79 123.53 8.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 96.0 t -106.86 102.52 14.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.115 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 17.7 p -48.76 139.18 10.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -66.84 154.14 92.61 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.627 0.727 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 114.22 3.63 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.711 2.274 . . . . 0.0 112.329 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 48.2 t-80 -60.34 91.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 9.8 t -66.32 152.52 44.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 38.0 t -99.01 -47.84 5.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 140.68 -84.69 0.21 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 132.61 23.7 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.697 2.265 . . . . 0.0 112.324 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 54.1 m 60.78 38.07 18.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 13.4 m -62.45 -51.18 68.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 -179.938 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.7 m -96.73 42.14 1.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.85 0.357 . . . . 0.0 110.859 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 4' ' ' GLY . 1.1 t -120.9 171.35 8.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.84 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -35.59 -39.75 0.26 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.496 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -40.75 160.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.795 0.331 . . . . 0.0 110.887 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.3 p -80.42 120.79 24.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.81 -94.58 0.22 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.458 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -2.01 9.48 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.675 2.25 . . . . 0.0 112.328 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.81 176.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.098 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 55.9 p -99.24 41.97 1.12 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 51.28 41.44 27.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.526 ' CZ2' ' HB2' ' A' ' 14' ' ' SER . 4.2 t-105 -106.0 117.01 32.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.0 mt -133.02 41.38 3.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.952 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.526 ' HB2' ' CZ2' ' A' ' 12' ' ' TRP . 7.5 t -48.6 -47.05 40.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.76 96.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.099 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -170.24 121.12 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.911 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.3 p -95.79 35.46 1.38 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.137 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -129.92 38.42 3.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -75.76 152.23 37.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.833 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.0 t 60.83 25.35 15.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.873 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -124.73 -24.33 4.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -62.73 176.48 0.67 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -128.35 103.42 7.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -132.39 35.7 3.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.2 t -106.51 -20.46 13.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.16 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -131.34 153.75 49.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.47 ' N ' HG12 ' A' ' 104' ' ' VAL . 24.2 m -71.94 147.97 91.65 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.658 0.742 . . . . 0.0 111.09 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 116.47 4.58 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.658 2.238 . . . . 0.0 112.321 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 30' ' ' VAL . 12.2 pt-20 -65.99 164.44 15.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.477 ' CG2' ' HD2' ' A' ' 31' ' ' PRO . 4.9 p -34.74 138.76 0.33 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.64 0.733 . . . . 0.0 111.116 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 30' ' ' VAL . 53.5 Cg_endo -69.78 171.4 14.55 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.1 p -52.58 -50.16 63.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -172.28 175.73 3.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.1 tp -147.43 114.46 6.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -104.13 147.44 27.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.5 m -136.04 135.72 50.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.8 107.84 43.7 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.629 0.728 . . . . 0.0 110.857 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 121.96 8.63 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.681 2.254 . . . . 0.0 112.326 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.485 ' O ' ' C ' ' A' ' 40' ' ' VAL . 2.9 mp -116.2 154.22 30.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.938 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.485 ' C ' ' O ' ' A' ' 39' ' ' LEU . 68.0 t -30.6 -74.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 36.0 p -116.0 26.15 10.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.495 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 3.7 p -151.36 -178.03 6.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.495 ' CG1' ' O ' ' A' ' 42' ' ' SER . 21.3 mt -160.5 118.32 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.114 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 74.2 t -85.98 103.41 12.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.14 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 67.7 t -97.55 101.33 12.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.8 t -102.15 139.62 37.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.566 ' CZ3' HD12 ' A' ' 62' ' ' ILE . 41.9 p90 -142.88 159.29 42.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 39.7 p -126.83 151.17 73.31 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.564 0.697 . . . . 0.0 111.117 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 163.81 36.83 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.661 2.241 . . . . 0.0 112.381 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 51' ' ' GLU . 53.5 Cg_endo -69.81 130.9 20.08 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.691 2.261 . . . . 0.0 112.357 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 50' ' ' PRO . 9.8 mt-10 -37.44 -47.15 0.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -74.72 85.15 2.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 54' ' ' ASN . 10.9 mm-40 -58.94 -33.71 70.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 53' ' ' GLN . 16.6 m120 -36.48 -41.35 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 43.6 mt -67.45 119.07 12.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.135 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.2 t -67.17 107.69 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.424 HG11 ' CZ ' ' A' ' 60' ' ' TYR . 61.2 t -105.09 108.35 24.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.143 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.42 ' HB3' ' NH1' ' A' ' 58' ' ' ARG . 4.4 mmm180 -71.44 -53.73 13.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.448 ' C ' ' CE2' ' A' ' 101' ' ' PHE . . . -166.31 -176.98 37.99 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.476 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.424 ' CZ ' HG11 ' A' ' 57' ' ' VAL . 3.3 m-85 -129.48 163.52 25.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.884 0.373 . . . . 0.0 110.892 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.67 126.72 53.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.104 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.566 HD12 ' CZ3' ' A' ' 47' ' ' TRP . 18.8 mt -108.01 122.11 61.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -115.24 119.68 4.7 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.504 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.475 ' CG ' HD11 ' A' ' 85' ' ' ILE . 17.6 p90 -126.58 148.89 49.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.892 0.377 . . . . 0.0 110.905 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 171.95 155.54 11.12 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.563 ' CD1' ' CZ ' ' A' ' 94' ' ' TYR . 30.4 mm -58.1 112.64 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.12 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.48 23.79 0.34 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.51 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.417 ' HB3' ' NE2' ' A' ' 70' ' ' HIS . 73.2 m -167.41 109.34 0.61 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.651 0.739 . . . . 0.0 110.837 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -15.02 36.72 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.68 2.253 . . . . 0.0 112.317 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.417 ' NE2' ' HB3' ' A' ' 68' ' ' SER . 21.0 p80 -80.26 42.81 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -112.64 -39.32 4.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -149.04 159.27 44.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.962 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 34.3 m -140.79 139.66 34.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.097 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.48 HD13 ' CE1' ' A' ' 83' ' ' TYR . 80.6 mt -132.08 107.96 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.165 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -93.61 111.74 23.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 28.2 m -117.7 170.73 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.158 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -79.38 162.08 25.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.824 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.49 ' CZ ' ' HE3' ' A' ' 79' ' ' LYS . 35.1 p90 -52.22 -51.2 59.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.49 ' HE3' ' CZ ' ' A' ' 78' ' ' TYR . 32.4 mttt -35.41 -55.42 0.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.916 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 44.1 mm-40 -44.85 107.29 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.63 -38.65 33.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.524 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 16.3 p90 -143.92 170.16 16.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.48 ' CE1' HD13 ' A' ' 74' ' ' ILE . 27.2 t80 -140.22 131.04 25.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.937 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 58.4 m -103.61 106.36 16.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.475 HD11 ' CG ' ' A' ' 64' ' ' TYR . 59.6 mt -79.97 123.01 36.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.433 ' C ' ' CG ' ' A' ' 87' ' ' ASN . 29.3 mt-10 -109.89 -174.93 2.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.433 ' CG ' ' C ' ' A' ' 86' ' ' GLU . 0.3 OUTLIER 47.88 48.04 18.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 22.0 mt -105.19 172.4 6.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -100.97 115.07 65.75 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.585 0.707 . . . . 0.0 110.856 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 162.35 42.44 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.692 2.261 . . . . 0.0 112.352 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.5 m 59.94 48.13 9.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.5 m -156.59 151.13 25.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.889 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.417 ' CD2' ' N ' ' A' ' 94' ' ' TYR . 4.0 t-160 -86.02 130.57 34.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.824 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.563 ' CZ ' ' CD1' ' A' ' 66' ' ' ILE . 16.0 m-85 -123.98 133.4 53.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 87.6 t -101.86 128.64 54.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.156 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.464 HG22 ' N ' ' A' ' 97' ' ' THR . 4.1 mp -112.98 142.38 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.16 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.464 ' N ' HG22 ' A' ' 96' ' ' ILE . 80.7 p -140.64 135.3 31.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.441 HD23 ' CB ' ' A' ' 47' ' ' TRP . 7.3 tp -127.45 136.32 51.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -139.16 135.44 34.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -81.11 132.3 35.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.104 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.453 ' CD1' ' C ' ' A' ' 101' ' ' PHE . 6.6 p90 -133.16 151.48 51.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -157.23 -176.06 5.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -48.76 -43.88 38.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.47 HG12 ' N ' ' A' ' 27' ' ' VAL . 62.6 t -60.9 -48.1 90.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.461 ' N ' HG13 ' A' ' 27' ' ' VAL . . . 163.02 -158.19 30.44 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -105.08 161.46 14.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.905 0.384 . . . . 0.0 110.855 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -107.74 -143.88 11.03 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.522 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.419 HD11 ' N ' ' A' ' 108' ' ' ILE . 0.0 OUTLIER -103.91 121.84 46.51 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.584 0.707 . . . . 0.0 111.139 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 160.41 49.81 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.693 2.262 . . . . 0.0 112.356 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 9.2 mt -109.74 165.25 11.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.452 ' O ' ' CD ' ' A' ' 112' ' ' GLU . 7.7 m-85 -121.85 123.42 41.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.452 ' CD ' ' O ' ' A' ' 111' ' ' TYR . 0.2 OUTLIER -132.5 167.42 20.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.935 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.1 m -142.26 143.57 32.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -155.63 120.27 4.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.096 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 61.2 t -97.86 106.55 18.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.0 p -49.67 140.36 11.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -71.79 155.02 92.67 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.602 0.715 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 116.48 4.57 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.707 2.272 . . . . 0.0 112.33 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.419 ' CG ' ' O ' ' A' ' 119' ' ' HIS . 55.3 t60 -81.57 45.61 0.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.83 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 76.9 p -101.05 39.16 1.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 31.8 m -121.65 167.48 12.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 103.14 64.73 0.71 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.464 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -176.36 1.46 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.691 2.261 . . . . 0.0 112.35 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.8 t -99.09 40.61 1.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 29.4 p -89.43 -60.96 1.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.995 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.0 p -53.58 -44.47 69.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.893 0.378 . . . . 0.0 110.854 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 t -78.6 169.5 18.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.45 135.72 1.93 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t -154.64 120.03 5.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.881 0.372 . . . . 0.0 110.849 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -79.73 -60.26 2.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.838 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.73 85.59 1.32 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.468 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 156.58 62.87 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.691 2.261 . . . . 0.0 112.302 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -152.83 -177.85 6.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.112 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 35.1 m -145.41 116.37 7.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.1 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -99.07 160.73 14.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 14.4 m95 -56.44 122.1 11.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -128.42 167.57 16.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 98.9 p -74.56 84.82 2.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.23 141.71 47.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -107.84 39.76 1.87 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.7 m -125.28 128.24 47.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.143 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -131.35 118.99 21.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -83.54 148.59 27.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 t -86.16 52.56 2.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.824 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -126.52 47.77 2.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -117.23 163.39 16.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -75.4 105.73 6.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.813 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.434 ' CG ' ' OD1' ' A' ' 103' ' ' ASN . 64.8 tt0 -127.42 37.54 4.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 59.4 p -111.87 -16.09 13.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.7 ptt-85 -133.2 157.41 45.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.455 HG11 ' N ' ' A' ' 105' ' ' GLY . 21.1 m -70.93 152.88 94.96 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.673 0.749 . . . . 0.0 111.087 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 105.54 1.49 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.631 2.221 . . . . 0.0 112.402 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 30' ' ' VAL . 9.1 mt-10 -52.75 153.56 3.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.886 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.47 ' CG2' ' HD2' ' A' ' 31' ' ' PRO . 5.7 p -33.45 138.62 0.26 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.643 0.735 . . . . 0.0 111.128 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.47 ' HD2' ' CG2' ' A' ' 30' ' ' VAL . 53.5 Cg_endo -69.76 171.42 14.49 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.251 . . . . 0.0 112.307 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.2 m -53.24 -47.52 68.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.7 t -174.56 -175.38 0.93 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.846 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.3 tp -149.77 114.07 5.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.628 ' C ' ' CD2' ' A' ' 35' ' ' HIS . 0.2 OUTLIER -99.0 148.13 24.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.861 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.516 ' N ' ' CD2' ' A' ' 35' ' ' HIS . 5.5 m -141.33 145.43 24.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.7 ttt85 -129.01 107.94 18.09 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.591 0.71 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 123.52 10.2 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.664 2.243 . . . . 0.0 112.374 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.47 ' O ' ' C ' ' A' ' 40' ' ' VAL . 4.6 mp -116.14 154.33 30.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.47 ' C ' ' O ' ' A' ' 39' ' ' LEU . 99.0 t -31.6 -70.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 35.8 p -118.8 22.21 12.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.493 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 0.8 OUTLIER -146.82 -177.98 5.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.814 -179.845 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.493 ' CG1' ' O ' ' A' ' 42' ' ' SER . 23.3 mt -160.16 106.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.106 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.7 t -79.36 97.69 2.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.112 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.7 t -86.02 103.28 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.115 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -108.55 122.47 47.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.51 ' CG ' HD22 ' A' ' 98' ' ' LEU . 43.2 p90 -122.63 -175.71 3.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.943 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.95 154.86 68.9 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.572 0.701 . . . . 0.0 111.102 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 156.72 62.61 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.658 2.239 . . . . 0.0 112.326 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.475 ' O ' ' N ' ' A' ' 52' ' ' ASN . 53.1 Cg_endo -69.87 123.28 9.91 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.675 2.25 . . . . 0.0 112.336 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 50' ' ' PRO . 21.2 mt-10 -36.75 -30.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' A' ' 50' ' ' PRO . 18.0 t-20 -88.12 101.03 13.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.62 -34.05 35.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -38.97 -35.69 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 31.1 mt -75.98 146.23 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.164 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.7 t -92.4 141.22 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.201 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.5 t -137.58 132.14 44.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -107.36 22.13 16.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 126.5 179.61 15.84 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.493 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.417 ' CE1' ' HA ' ' A' ' 78' ' ' TYR . 2.8 m-85 -129.65 162.77 27.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.896 0.379 . . . . 0.0 110.9 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -115.07 110.61 19.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.11 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 34.0 mt -91.45 132.08 36.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.141 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -130.52 119.94 2.88 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.529 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.444 ' CZ ' ' HB2' ' A' ' 72' ' ' GLN . 6.0 p90 -120.69 159.27 25.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.926 0.393 . . . . 0.0 110.938 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 159.85 129.16 1.02 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.433 HG13 ' CE2' ' A' ' 94' ' ' TYR . 17.7 mt -51.92 110.82 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 111.105 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.15 -53.84 4.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.475 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.7 m -122.57 121.11 27.67 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.661 0.743 . . . . 0.0 110.865 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -3.3 11.76 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.682 2.255 . . . . 0.0 112.335 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 -77.64 47.54 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -114.93 -54.71 2.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.067 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.444 ' HB2' ' CZ ' ' A' ' 64' ' ' TYR . 3.3 mp0 -139.67 154.11 47.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.1 m -136.05 128.37 30.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 86.3 mt -118.36 114.54 45.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.084 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.451 ' HD2' ' CE2' ' A' ' 101' ' ' PHE . 26.6 mmtm -99.01 119.34 37.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.8 m -129.28 147.97 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.1 p30 -48.14 150.92 1.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.473 ' CD1' ' N ' ' A' ' 79' ' ' LYS . 32.0 p90 -52.93 -44.36 66.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.958 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.473 ' N ' ' CD1' ' A' ' 78' ' ' TYR . 30.1 mtpt -41.03 -47.57 3.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.923 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -48.68 121.29 4.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -90.47 -36.63 14.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.507 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 55.9 p90 -145.07 167.04 23.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.951 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -140.43 144.36 36.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.973 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 78.8 m -106.53 106.89 17.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.145 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 35.2 mt -89.16 111.6 23.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -107.89 173.98 6.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 24.3 m-20 71.22 43.95 0.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.401 ' CD1' HG13 ' A' ' 43' ' ' ILE . 30.9 mt -112.24 174.01 6.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -98.24 120.97 58.44 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.591 0.71 . . . . 0.0 110.859 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 153.59 68.34 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.66 2.24 . . . . 0.0 112.338 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.4 t 65.71 48.48 1.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.845 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.3 m -156.81 139.5 15.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -81.46 132.56 35.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.841 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.433 ' CE2' HG13 ' A' ' 66' ' ' ILE . 41.1 m-85 -125.84 122.96 37.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 59.7 t -83.45 110.44 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.111 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.433 HG23 ' N ' ' A' ' 97' ' ' THR . 4.5 mp -98.8 141.47 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.143 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.433 ' N ' HG23 ' A' ' 96' ' ' ILE . 32.4 p -133.46 151.25 51.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.121 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.51 HD22 ' CG ' ' A' ' 47' ' ' TRP . 5.3 tp -142.98 136.95 28.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -150.37 135.48 17.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -81.71 147.84 29.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.076 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.451 ' CE2' ' HD2' ' A' ' 75' ' ' LYS . 16.2 p90 -142.76 151.67 41.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 47.6 p-10 -147.34 -176.77 5.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.434 ' OD1' ' CG ' ' A' ' 24' ' ' GLU . 8.4 p-10 -45.97 -38.5 7.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 74.0 t -71.7 -48.19 53.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.119 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.455 ' N ' HG11 ' A' ' 27' ' ' VAL . . . 159.21 -160.94 31.69 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -112.53 160.83 17.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.902 0.382 . . . . 0.0 110.897 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -103.71 -136.14 8.85 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.441 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 1.3 mm -98.44 126.64 38.72 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.644 0.735 . . . . 0.0 111.139 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -176.29 1.43 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.707 2.271 . . . . 0.0 112.38 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 80.8 mt -131.22 150.26 52.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -108.86 134.41 51.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -140.52 178.26 7.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 78.6 p -141.46 137.76 32.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -149.59 119.12 6.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 99.8 t -104.43 103.66 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 16.6 p -52.13 139.98 22.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.155 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -65.85 155.3 86.94 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.588 0.709 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 127.8 15.13 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.672 2.248 . . . . 0.0 112.386 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 22.4 t60 -105.43 100.85 10.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 63.8 p -52.34 93.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 89.3 p -70.31 177.54 3.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 74.22 168.58 18.91 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.463 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 92.56 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.644 2.229 . . . . 0.0 112.335 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.1 t -81.66 139.18 35.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 77.5 p -171.76 169.81 5.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.828 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.443 -179.974 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.3 p -172.39 174.72 3.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.371 . . . . 0.0 110.855 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.8 p -168.08 172.68 8.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.92 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.85 123.86 7.89 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.54 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.1 t -171.67 162.67 6.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.867 0.365 . . . . 0.0 110.852 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 t -171.71 162.93 6.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.813 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.19 120.97 1.53 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.457 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -175.59 1.22 Allowed 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.683 2.255 . . . . 0.0 112.353 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -103.98 164.08 11.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.101 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.0 p -129.5 123.71 32.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.181 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -153.66 166.32 33.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 3.2 m-90 -111.07 42.14 1.69 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.6 mp 45.09 41.45 5.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.2 t -162.6 145.03 10.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -174.53 119.52 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.084 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -160.76 120.76 2.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 41.1 p -118.41 38.18 3.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.084 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 28.9 p90 -158.47 122.09 3.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 20' ' ' SER . 7.1 tp10 -99.12 156.27 17.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.402 ' N ' ' HG3' ' A' ' 19' ' ' GLU . 91.3 p -63.31 -40.03 96.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 22' ' ' LEU . 54.9 m-20 -40.37 -42.21 1.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.888 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.456 ' CD2' ' HA ' ' A' ' 54' ' ' ASN . 79.8 mt -35.42 144.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -89.48 115.73 27.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -117.79 29.03 8.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.4 p -104.48 -10.09 17.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.082 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -124.65 170.49 10.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.847 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.6 m -99.52 145.98 31.01 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.622 0.725 . . . . 0.0 111.161 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 102.18 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 30' ' ' VAL . 1.7 pp20? -56.99 169.02 0.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.467 ' CG2' ' HD2' ' A' ' 31' ' ' PRO . 4.3 p -34.06 138.77 0.3 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.57 0.7 . . . . 0.0 111.191 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.467 ' HD2' ' CG2' ' A' ' 30' ' ' VAL . 53.1 Cg_endo -69.76 173.24 11.26 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.695 2.263 . . . . 0.0 112.322 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.2 m -53.65 -45.01 70.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 m -174.67 -177.92 1.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.823 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.6 tp -153.21 116.23 4.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.964 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -102.82 148.48 25.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.808 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.3 m -139.96 139.21 37.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 55.3 ttt180 -125.48 109.69 26.14 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.59 0.71 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.65 129.23 17.36 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.69 2.26 . . . . 0.0 112.372 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.483 ' O ' ' C ' ' A' ' 40' ' ' VAL . 4.4 mp -120.43 154.21 35.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.483 ' C ' ' O ' ' A' ' 39' ' ' LEU . 58.0 t -30.63 -69.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.3 p -120.9 22.6 11.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.165 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.401 ' C ' ' HB2' ' A' ' 39' ' ' LEU . 6.4 p -145.69 -179.35 6.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.829 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.4 ' CG1' ' O ' ' A' ' 42' ' ' SER . 46.8 mt -157.12 106.7 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.134 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 87.8 t -78.92 97.69 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.4 t -90.58 100.84 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.0 t -106.42 126.38 52.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.452 ' CB ' HD22 ' A' ' 98' ' ' LEU . 47.2 p90 -124.68 -174.99 3.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.961 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.78 158.59 56.07 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.587 0.708 . . . . 0.0 111.126 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 166.55 27.16 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.705 2.27 . . . . 0.0 112.343 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.422 ' O ' ' N ' ' A' ' 52' ' ' ASN . 54.6 Cg_endo -69.72 134.35 27.84 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.636 2.224 . . . . 0.0 112.373 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -38.33 -31.02 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.554 ' CG ' ' ND2' ' A' ' 54' ' ' ASN . 9.7 t-20 -95.81 162.27 13.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.893 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.506 ' O ' ' N ' ' A' ' 55' ' ' ILE . 17.5 mm100 -125.24 -42.67 1.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.592 ' N ' HD21 ' A' ' 54' ' ' ASN . 0.0 OUTLIER -36.75 -29.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.506 ' N ' ' O ' ' A' ' 53' ' ' GLN . 59.3 mt -77.79 137.48 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.412 ' N ' HG21 ' A' ' 55' ' ' ILE . 81.7 t -78.21 130.13 36.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.116 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.0 t -124.4 125.83 70.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -96.84 -39.23 9.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 179.66 -160.72 26.12 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.468 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.422 ' CE2' ' HA ' ' A' ' 78' ' ' TYR . 1.2 m-85 -146.36 152.46 39.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.862 0.363 . . . . 0.0 110.934 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -105.23 124.94 50.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 22.3 mt -106.77 116.52 50.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -114.13 129.41 8.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.508 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 48.7 p90 -136.31 164.04 29.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.925 0.393 . . . . 0.0 110.955 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 150.17 161.93 10.2 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.521 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.427 HD13 ' CZ ' ' A' ' 94' ' ' TYR . 46.5 mm -73.23 114.23 12.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.829 0.347 . . . . 0.0 111.152 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.56 -55.41 3.1 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.539 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 72.8 m -137.12 144.59 46.68 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.651 0.739 . . . . 0.0 110.88 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 70' ' ' HIS . 53.5 Cg_endo -69.72 -32.07 19.46 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.674 2.25 . . . . 0.0 112.333 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.422 ' C ' ' O ' ' A' ' 69' ' ' PRO . 52.2 m-70 -36.19 -35.6 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 70' ' ' HIS . . . -36.37 -60.39 0.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.0 mp0 -135.13 151.72 50.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 87.2 m -142.87 135.55 27.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.125 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 45.3 mt -122.12 136.64 58.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.168 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.478 ' HD2' ' CZ ' ' A' ' 101' ' ' PHE . 17.7 mmtp -119.3 125.29 48.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.7 m -137.78 167.01 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.091 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -67.67 174.97 3.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.493 ' CE1' ' HD2' ' A' ' 79' ' ' LYS . 16.0 p90 -71.02 -35.93 72.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.973 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.493 ' HD2' ' CE1' ' A' ' 78' ' ' TYR . 0.2 OUTLIER -44.31 -49.84 9.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.892 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -51.69 115.66 1.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.87 -29.45 18.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 14.5 p90 -149.71 162.82 39.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -137.2 132.15 33.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 92.1 m -98.15 102.46 14.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.162 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 45.0 mt -83.05 111.99 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -111.08 176.79 4.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 68.46 46.7 1.0 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 92.4 mt -115.04 177.17 4.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -103.31 122.02 46.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.581 0.705 . . . . 0.0 110.853 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 148.56 64.89 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.7 2.267 . . . . 0.0 112.332 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.9 t 74.47 42.88 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 68.6 m -148.3 156.53 42.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -99.84 124.35 45.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.427 ' CZ ' HD13 ' A' ' 66' ' ' ILE . 69.5 m-85 -116.71 125.74 52.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 84.6 t -86.74 107.47 16.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.8 mp -95.31 136.37 26.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 41.5 p -128.36 160.51 31.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.163 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.452 HD22 ' CB ' ' A' ' 47' ' ' TRP . 10.1 tp -149.69 132.15 15.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -141.84 132.88 26.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.88 128.31 36.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.078 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.478 ' CZ ' ' HD2' ' A' ' 75' ' ' LYS . 25.7 p90 -136.32 143.8 44.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 52.5 p-10 -130.77 -175.25 3.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -43.98 -34.24 1.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 26.2 t -71.15 -46.37 66.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 158.64 -167.84 34.74 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.08 161.05 14.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.879 0.371 . . . . 0.0 110.918 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -107.38 -130.94 6.51 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -106.72 123.98 36.93 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.619 0.723 . . . . 0.0 111.146 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 167.9 23.1 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.684 2.256 . . . . 0.0 112.361 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 19.9 mt -109.64 179.81 4.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -141.37 126.57 18.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -135.69 -177.62 4.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 44.4 p -141.94 138.92 32.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -151.13 111.48 4.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.109 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 96.2 t -102.21 101.7 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 38.5 p -51.2 130.35 26.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 89.1 mtt-85 -56.14 153.39 18.6 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.64 0.733 . . . . 0.0 110.823 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 119' ' ' HIS . 53.8 Cg_endo -69.73 103.17 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.652 2.235 . . . . 0.0 112.366 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.442 ' C ' ' O ' ' A' ' 118' ' ' PRO . 26.4 t-80 -34.81 105.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.836 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 2.9 t -80.73 142.63 33.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.147 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 72.8 m -95.15 -46.02 6.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 61.57 65.6 3.15 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 100.33 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.67 2.246 . . . . 0.0 112.341 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 14.6 t -170.87 146.91 2.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.824 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 42.5 m -162.94 121.75 2.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.844 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.527 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.4 m -145.77 145.79 30.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.815 0.341 . . . . 0.0 110.893 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -162.26 170.59 18.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.34 149.89 19.57 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.467 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -165.08 160.48 18.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.893 0.378 . . . . 0.0 110.858 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t 71.58 42.4 0.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.17 127.82 9.37 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.472 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 129.39 17.54 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.675 2.25 . . . . 0.0 112.329 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -139.21 105.14 5.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.4 m -100.75 96.83 7.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -66.04 116.3 7.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.897 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 70.9 m95 -63.37 166.54 6.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -118.39 144.95 45.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.952 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 31.7 t -67.83 131.14 44.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -171.68 121.99 0.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -58.38 128.5 37.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.9 p -110.15 90.33 3.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.113 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -73.6 169.06 18.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.88 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.48 134.73 50.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.3 m -82.48 58.06 3.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -174.2 111.74 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.3 mp -137.99 174.34 10.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -93.81 99.89 12.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -125.29 31.3 5.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 57.5 p -104.91 -15.73 15.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.147 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.444 ' NH2' ' OE1' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -131.25 157.23 43.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.467 HG12 ' N ' ' A' ' 106' ' ' GLU . 20.1 m -70.93 148.45 94.59 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.65 0.738 . . . . 0.0 111.161 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.424 ' HG2' ' C ' ' A' ' 100' ' ' ALA . 53.3 Cg_endo -69.76 99.56 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.711 2.274 . . . . 0.0 112.355 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -51.28 161.69 0.41 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.893 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.475 ' CG2' ' HD2' ' A' ' 31' ' ' PRO . 4.9 p -33.94 139.0 0.28 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.607 0.718 . . . . 0.0 111.142 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 30' ' ' VAL . 53.6 Cg_endo -69.76 178.36 4.65 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.663 2.242 . . . . 0.0 112.353 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.0 t -58.43 -44.44 89.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.818 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 58.9 p -175.3 177.37 1.87 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 tp -141.98 128.96 20.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.637 ' C ' ' CD2' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -117.86 144.83 45.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.863 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.432 ' N ' ' CD2' ' A' ' 35' ' ' HIS . 16.1 m -143.87 135.66 22.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.084 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -117.6 109.84 41.3 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.6 0.714 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 124.77 11.44 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.726 2.284 . . . . 0.0 112.355 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.474 ' O ' ' C ' ' A' ' 40' ' ' VAL . 4.4 mp -118.76 154.41 32.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.474 ' C ' ' O ' ' A' ' 39' ' ' LEU . 18.9 t -31.45 -71.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.6 p -117.73 24.44 11.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.407 ' C ' HG13 ' A' ' 43' ' ' ILE . 22.9 p -148.19 178.68 8.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.407 HG13 ' C ' ' A' ' 42' ' ' SER . 65.1 mt -156.96 105.03 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 95.5 t -76.89 100.01 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.103 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.3 t -89.84 109.61 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.129 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.544 ' OG ' ' CD2' ' A' ' 35' ' ' HIS . 2.7 p -113.14 117.31 31.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.477 ' CZ3' HD12 ' A' ' 62' ' ' ILE . 47.1 p90 -117.81 172.87 7.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 40.3 p -133.29 153.47 80.63 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.581 0.705 . . . . 0.0 111.116 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 163.21 39.14 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 51' ' ' GLU . 54.0 Cg_endo -69.76 123.7 10.36 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.668 2.245 . . . . 0.0 112.357 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -34.54 -36.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 50' ' ' PRO . 28.2 t-20 -91.0 84.41 5.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.924 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -60.63 -36.21 78.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -38.63 -32.64 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.415 HD11 ' CG ' ' A' ' 52' ' ' ASN . 21.2 mt -75.94 131.3 35.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 93.6 t -67.19 135.98 27.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.183 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.8 t -134.15 102.66 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.425 ' HB3' ' NH1' ' A' ' 58' ' ' ARG . 4.3 mmm180 -69.48 -35.55 75.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 176.58 -171.79 44.75 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.462 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -131.27 156.7 44.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.896 0.379 . . . . 0.0 110.945 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -119.08 118.6 31.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.062 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.477 HD12 ' CZ3' ' A' ' 47' ' ' TRP . 68.7 mt -98.9 146.97 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.132 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.449 ' N ' HG23 ' A' ' 62' ' ' ILE . . . -136.35 138.46 9.88 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.466 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -144.94 167.34 22.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.902 0.382 . . . . 0.0 110.918 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 155.78 162.27 11.23 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.5 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.543 ' CD1' ' CZ ' ' A' ' 94' ' ' TYR . 34.1 mm -79.75 98.75 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.901 0.382 . . . . 0.0 111.132 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.4 -40.51 2.4 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.442 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.4 m -147.13 141.35 15.8 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.682 0.754 . . . . 0.0 110.848 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.482 ' O ' ' N ' ' A' ' 71' ' ' ALA . 53.3 Cg_endo -69.77 -40.05 5.77 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.68 2.253 . . . . 0.0 112.353 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.419 ' C ' ' O ' ' A' ' 69' ' ' PRO . 37.9 m-70 -36.85 -29.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 69' ' ' PRO . . . -42.74 -60.66 1.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.067 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -131.78 153.55 50.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 36.6 m -142.92 134.36 26.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.105 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 69.8 mt -122.89 131.36 73.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.8 mttm -117.87 112.98 21.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 34.3 m -117.49 173.66 4.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.084 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -68.15 150.12 48.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 49.3 p90 -54.8 -48.82 72.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 59.7 mttt -37.96 -43.88 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.947 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -54.28 117.26 3.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -85.29 -32.85 22.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.463 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 7.3 p90 -147.01 167.99 22.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -139.81 144.05 37.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 90.4 m -110.64 104.15 12.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.146 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 33.4 mt -87.33 114.2 25.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.105 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -106.85 -179.17 3.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.879 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 60.81 50.51 5.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 33.6 mt -123.36 156.06 36.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -79.26 121.23 82.77 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.553 0.692 . . . . 0.0 110.879 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 179.14 3.9 Favored 'Trans proline' 0 C--N 1.34 0.114 0 C-N-CA 122.677 2.251 . . . . 0.0 112.326 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.5 p 42.24 51.37 4.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.847 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.3 m -151.51 141.37 21.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -81.03 122.84 27.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.543 ' CZ ' ' CD1' ' A' ' 66' ' ' ILE . 21.4 m-85 -117.22 135.06 54.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.944 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 98.4 t -98.34 106.62 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.425 HG22 ' N ' ' A' ' 97' ' ' THR . 3.2 mp -95.12 138.46 20.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.425 ' N ' HG22 ' A' ' 96' ' ' ILE . 66.4 p -135.37 157.7 46.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.089 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.439 ' CD2' ' HB2' ' A' ' 47' ' ' TRP . 9.3 tp -144.83 132.94 21.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -135.69 133.75 38.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.424 ' C ' ' HG2' ' A' ' 28' ' ' PRO . . . -85.71 128.97 34.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.091 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -130.95 154.46 48.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.414 ' CG ' ' HD3' ' A' ' 28' ' ' PRO . 26.8 p-10 -152.01 -175.03 5.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -49.42 -38.55 29.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 39.0 t -61.99 -49.78 82.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 170.68 -133.03 2.65 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.448 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.467 ' N ' HG12 ' A' ' 27' ' ' VAL . 49.2 mt-10 -129.15 155.66 45.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.887 0.375 . . . . 0.0 110.891 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -102.79 -150.82 22.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.465 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.442 HD11 ' N ' ' A' ' 108' ' ' ILE . 0.0 OUTLIER -101.88 126.2 34.62 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.629 0.728 . . . . 0.0 111.12 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 166.18 28.43 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.337 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 10.1 mt -108.96 179.12 4.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -140.25 114.52 9.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -129.4 175.53 8.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.6 p -133.0 140.17 47.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -150.04 111.48 4.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.085 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 57.8 t -98.46 106.8 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.131 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 58.2 p -49.82 125.46 11.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.137 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -44.63 153.42 0.47 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.575 0.703 . . . . 0.0 110.848 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 102.82 1.07 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.703 2.268 . . . . 0.0 112.316 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -84.45 -55.56 4.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.865 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 9.4 t -76.28 49.8 0.6 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 43.0 t -95.71 125.84 40.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -94.91 -118.35 3.14 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.517 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 168.56 21.22 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.659 2.239 . . . . 0.0 112.394 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 4.3 t -104.01 163.2 12.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 51.6 p -57.87 -44.71 86.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.52 -179.968 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.1 m -158.11 122.68 4.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.904 0.383 . . . . 0.0 110.869 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.0 m -157.74 173.8 16.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.26 57.71 0.13 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.541 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.4 t -63.91 -34.73 78.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.92 0.391 . . . . 0.0 110.915 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.0 m 56.37 42.71 27.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.42 149.33 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 178.28 4.7 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.69 2.26 . . . . 0.0 112.342 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -151.23 108.68 3.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.071 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 56.4 p -140.77 116.16 10.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -134.25 85.05 2.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.451 ' CD1' ' N ' ' A' ' 12' ' ' TRP . 0.0 OUTLIER -130.5 79.49 1.9 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.9 mt -110.42 92.33 4.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.4 p -129.87 47.32 2.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.34 47.29 1.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.079 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -117.93 72.59 0.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.8 m -154.61 130.44 10.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.125 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -106.0 162.18 13.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -86.95 151.48 23.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.5 m -80.48 43.57 0.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -125.08 44.28 2.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.431 ' N ' HD22 ' A' ' 22' ' ' LEU . 4.1 mm? -90.74 161.79 15.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -82.91 116.26 22.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.449 ' CD ' ' O ' ' A' ' 24' ' ' GLU . 5.5 tm-20 -128.15 33.85 4.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.4 p -99.57 -12.26 20.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.148 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -141.69 153.86 44.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.457 HG11 ' N ' ' A' ' 106' ' ' GLU . 33.1 m -71.09 151.8 94.78 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.624 0.726 . . . . 0.0 111.108 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 109.05 2.21 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.7 2.266 . . . . 0.0 112.316 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 30' ' ' VAL . 9.5 mt-10 -56.56 158.65 4.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.438 ' CG2' ' HD2' ' A' ' 31' ' ' PRO . 4.2 p -34.69 138.15 0.35 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.665 0.745 . . . . 0.0 111.095 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.438 ' HD2' ' CG2' ' A' ' 30' ' ' VAL . 54.3 Cg_endo -69.77 166.89 26.09 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.725 2.283 . . . . 0.0 112.339 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.5 p -48.31 -48.63 35.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.84 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 83.4 p -173.82 -176.02 1.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.6 tp -152.88 112.48 3.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -96.75 147.73 23.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.0 m -137.4 131.81 44.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -117.85 110.11 40.54 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.586 0.707 . . . . 0.0 110.854 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 128.08 15.47 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.32 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.493 ' O ' ' C ' ' A' ' 40' ' ' VAL . 2.7 mp -120.67 154.47 35.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.493 ' C ' ' O ' ' A' ' 39' ' ' LEU . 60.6 t -29.65 -71.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.2 p -119.71 24.94 10.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.125 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.424 ' C ' HG13 ' A' ' 43' ' ' ILE . 2.6 m -149.33 -178.76 6.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.424 HG13 ' C ' ' A' ' 42' ' ' SER . 60.5 mt -157.73 105.85 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 93.5 t -74.47 96.03 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.9 t -86.24 100.11 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.7 t -105.45 127.18 52.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.83 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.539 ' CZ3' HD11 ' A' ' 62' ' ' ILE . 44.1 p90 -128.28 -174.93 3.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -142.4 159.92 56.23 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.592 0.711 . . . . 0.0 111.145 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 161.35 46.26 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.402 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 51' ' ' GLU . 53.3 Cg_endo -69.78 129.09 16.97 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.64 2.227 . . . . 0.0 112.34 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 50' ' ' PRO . 2.0 tt0 -34.77 -40.45 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -91.86 106.43 18.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.957 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -77.55 -32.36 53.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -38.66 -43.09 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 56.4 mt -68.38 124.35 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 90.1 t -65.91 138.62 22.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.064 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.504 HG13 ' CZ ' ' A' ' 60' ' ' TYR . 96.7 t -130.03 107.82 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.089 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.495 ' NE ' ' OD1' ' A' ' 103' ' ' ASN . 18.6 mmt180 -74.55 -32.72 62.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 179.17 -169.7 41.07 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.493 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.504 ' CZ ' HG13 ' A' ' 57' ' ' VAL . 15.9 m-85 -135.68 152.09 50.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.844 0.355 . . . . 0.0 110.939 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -117.95 123.72 46.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.119 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.539 HD11 ' CZ3' ' A' ' 47' ' ' TRP . 42.9 mt -108.16 141.2 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.11 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.432 ' N ' HG23 ' A' ' 62' ' ' ILE . . . -135.35 121.54 2.58 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -116.0 170.93 8.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.951 0.405 . . . . 0.0 110.913 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 148.74 125.34 1.44 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.533 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.558 HG13 ' CE2' ' A' ' 94' ' ' TYR . 27.7 mt -47.91 118.03 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.857 0.36 . . . . 0.0 111.167 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.78 -58.66 2.59 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.46 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.3 m -116.2 119.47 36.57 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.666 0.745 . . . . 0.0 110.852 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 1.5 4.37 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.676 2.25 . . . . 0.0 112.325 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -81.87 44.4 0.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.834 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -107.75 -54.53 2.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.104 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -145.23 147.14 32.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.6 m -120.06 135.8 54.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 24.8 mt -129.25 108.5 16.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.143 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.9 mtmt -99.97 112.84 25.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.8 m -108.36 158.51 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.164 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -51.96 179.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 37.5 p90 -83.18 -22.43 33.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.935 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.0 mmtt -82.51 39.21 0.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.403 ' HA ' ' NE2' ' A' ' 80' ' ' GLN . 6.8 mm100 -126.07 122.29 35.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -91.43 -33.67 15.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.403 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 6.1 p90 -148.52 169.29 20.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -141.3 128.62 21.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 48.1 m -90.91 102.65 15.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.139 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 62.7 mt -85.61 105.69 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -103.25 174.44 5.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 74.53 45.0 0.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 56.0 mt -121.18 157.05 31.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -87.78 129.96 48.62 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.647 0.737 . . . . 0.0 110.841 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 145.62 57.8 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.719 2.279 . . . . 0.0 112.332 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.451 ' N ' ' OG1' ' A' ' 116' ' ' THR . 6.8 t 74.98 54.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.8 p -159.29 129.16 5.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -78.47 126.67 31.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.558 ' CE2' HG13 ' A' ' 66' ' ' ILE . 26.9 m-85 -117.19 138.03 51.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 99.8 t -95.58 101.87 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.14 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.452 HG23 ' N ' ' A' ' 97' ' ' THR . 4.5 mp -90.23 138.56 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.452 ' N ' HG23 ' A' ' 96' ' ' ILE . 35.7 p -132.81 154.19 50.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.443 HD21 ' CB ' ' A' ' 47' ' ' TRP . 4.6 tp -145.57 131.21 18.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.3 ptpt -134.91 133.35 39.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 107' ' ' GLY . . . -84.25 130.5 34.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.063 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -133.38 165.61 24.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 36.5 p-10 -165.19 -179.87 5.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.495 ' OD1' ' NE ' ' A' ' 58' ' ' ARG . 30.1 m120 -46.18 -34.07 4.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.447 ' CG2' ' OE2' ' A' ' 24' ' ' GLU . 30.1 t -65.95 -47.46 85.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.455 ' N ' HG12 ' A' ' 27' ' ' VAL . . . 171.69 -129.99 1.86 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.513 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.457 ' N ' HG11 ' A' ' 27' ' ' VAL . 20.4 mt-10 -131.5 167.53 19.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.88 0.371 . . . . 0.0 110.894 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 100' ' ' ALA . . . -115.94 -172.37 16.76 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.5 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 4.9 mm -84.64 125.55 71.03 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.649 0.738 . . . . 0.0 111.139 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 161.29 46.52 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.694 2.263 . . . . 0.0 112.333 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 45.8 mt -112.49 158.89 19.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.929 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -118.71 127.3 53.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.914 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -137.47 178.48 7.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.937 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 66.2 p -140.6 138.47 34.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -163.79 115.42 1.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.086 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -109.77 119.9 59.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.158 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.451 ' OG1' ' N ' ' A' ' 91' ' ' SER . 12.7 p -41.46 158.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.165 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 39.5 mtt-85 -88.35 159.18 47.93 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.621 0.724 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 106.62 1.7 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.704 2.269 . . . . 0.0 112.36 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -54.01 111.2 0.71 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 90.9 m -78.9 129.72 34.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 87.6 p -69.89 139.72 53.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 108.41 -178.43 21.16 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.486 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 171.61 14.17 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.701 2.267 . . . . 0.0 112.326 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 40.1 p -78.31 165.26 24.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.815 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 48.4 t -117.17 135.26 53.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.812 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.522 -179.972 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t 53.63 42.39 31.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.886 0.374 . . . . 0.0 110.894 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.1 t -109.26 91.81 3.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 49.03 -178.1 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.459 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.9 m -70.47 139.16 51.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.844 0.354 . . . . 0.0 110.888 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.9 m -90.67 112.44 24.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 47.3 83.96 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.527 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -9.88 27.22 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.68 2.253 . . . . 0.0 112.408 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -45.63 120.82 2.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.075 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 30.9 p -131.58 137.86 48.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.158 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -119.35 159.12 24.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.819 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.1 p90 -142.25 155.31 45.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.925 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.6 tp -110.43 141.19 43.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 43.7 m -66.47 88.69 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -157.86 173.96 16.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.134 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -137.3 177.53 7.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.2 m -141.47 137.83 32.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.176 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.557 ' CE2' HD22 ' A' ' 22' ' ' LEU . 6.9 p90 -89.3 -43.08 11.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 18' ' ' PHE . 0.5 OUTLIER 36.65 41.19 0.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.884 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.0 t -95.39 -20.06 19.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -132.52 -1.52 3.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.822 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.557 HD22 ' CE2' ' A' ' 18' ' ' PHE . 4.6 mm? -63.09 166.79 5.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -113.77 89.75 3.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.827 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.454 ' O ' ' CG2' ' A' ' 104' ' ' VAL . 24.1 tt0 -112.83 23.58 13.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.4 p -99.16 -5.53 29.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.4 ptt180 -138.78 149.92 45.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.2 m -73.09 152.25 90.57 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.606 0.717 . . . . 0.0 111.157 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.42 ' HG2' ' C ' ' A' ' 100' ' ' ALA . 53.3 Cg_endo -69.79 119.68 6.59 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.631 2.221 . . . . 0.0 112.328 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 30' ' ' VAL . 9.6 mt-10 -70.45 165.53 22.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 29' ' ' GLU . 4.4 p -34.58 132.75 0.42 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.625 0.726 . . . . 0.0 111.101 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 170.98 15.34 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.4 t -49.14 -49.76 40.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.7 t -174.87 -177.07 1.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.876 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 tp -149.3 113.63 5.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.94 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -97.72 148.15 23.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.8 m -141.36 144.18 26.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.112 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.448 ' HG3' ' CD1' ' A' ' 39' ' ' LEU . 10.3 tpp180 -129.59 107.92 17.25 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.666 0.746 . . . . 0.0 110.85 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 127.67 14.94 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.694 2.263 . . . . 0.0 112.342 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.472 ' O ' ' C ' ' A' ' 40' ' ' VAL . 3.5 mp -122.18 154.55 37.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.472 ' C ' ' O ' ' A' ' 39' ' ' LEU . 11.3 t -31.58 -69.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.6 p -119.72 22.56 11.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.104 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.499 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 14.1 p -145.85 -179.94 7.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.499 ' CG1' ' O ' ' A' ' 42' ' ' SER . 23.5 mt -160.57 105.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.087 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.447 ' CG2' HD13 ' A' ' 39' ' ' LEU . 2.3 t -76.83 97.58 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 60.6 t -90.53 102.59 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.081 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.7 t -108.18 128.32 54.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.568 ' CZ3' HD11 ' A' ' 62' ' ' ILE . 46.1 p90 -126.2 -179.82 4.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.6 p -137.86 151.08 69.68 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.58 0.705 . . . . 0.0 111.093 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 157.74 59.26 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.659 2.239 . . . . 0.0 112.324 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.471 ' O ' ' N ' ' A' ' 52' ' ' ASN . 53.4 Cg_endo -69.78 118.06 5.46 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.683 2.256 . . . . 0.0 112.371 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 50' ' ' PRO . 34.0 mm-40 -38.08 -28.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.914 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 50' ' ' PRO . 11.9 t-20 -84.68 91.69 7.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.942 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -70.37 -31.54 68.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -42.27 -39.57 2.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 33.1 mt -77.14 117.78 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 35.8 t -66.88 131.84 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.124 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 58' ' ' ARG . 61.8 t -123.68 136.78 59.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.413 ' N ' HG12 ' A' ' 57' ' ' VAL . 16.0 mmt180 -100.44 -29.53 12.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.402 ' HA2' ' C ' ' A' ' 77' ' ' ASP . . . 174.14 -178.62 45.92 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.474 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.561 ' CE2' ' HA ' ' A' ' 78' ' ' TYR . 23.5 m-85 -127.92 164.57 21.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.856 0.36 . . . . 0.0 110.971 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -127.45 128.13 45.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.093 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.568 HD11 ' CZ3' ' A' ' 47' ' ' TRP . 15.9 mt -110.59 112.44 40.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.149 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -102.11 128.12 9.45 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.451 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 9.3 p90 -132.7 151.13 52.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.963 0.411 . . . . 0.0 110.923 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 165.31 137.13 2.13 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.482 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.7 mt -62.09 105.65 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.942 0.401 . . . . 0.0 111.09 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.99 -48.29 0.96 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.5 m -148.48 142.09 15.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.683 0.754 . . . . 0.0 110.869 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 71' ' ' ALA . 52.9 Cg_endo -69.86 -35.81 11.67 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.703 2.269 . . . . 0.0 112.317 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 71' ' ' ALA . 49.7 m-70 -41.76 -24.65 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 69' ' ' PRO . . . -35.88 -57.79 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -146.4 167.69 22.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 100.0 m -135.48 127.26 29.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.17 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 94.3 mt -111.77 107.93 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.104 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.525 ' HE3' ' CZ ' ' A' ' 101' ' ' PHE . 6.2 mtpp -110.48 137.86 47.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.42 ' O ' ' CG ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -132.5 -77.24 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.896 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.42 ' CG ' ' O ' ' A' ' 76' ' ' VAL . 3.8 m-20 -175.4 -175.35 0.8 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.561 ' HA ' ' CE2' ' A' ' 60' ' ' TYR . 45.0 p90 -84.31 -23.09 30.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.937 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -71.07 -44.48 65.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.886 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -50.62 125.15 12.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -97.03 -35.43 10.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -144.86 160.44 41.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -139.22 132.64 30.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 88.0 m -92.11 110.98 22.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.174 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 39.9 mt -89.44 106.58 17.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.402 ' C ' ' ND2' ' A' ' 87' ' ' ASN . 41.8 mt-10 -103.04 171.64 7.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.402 ' ND2' ' C ' ' A' ' 86' ' ' GLU . 5.6 m-80 74.96 41.81 0.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 14.0 mt -119.15 158.79 25.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -90.8 136.26 27.98 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.562 0.696 . . . . 0.0 110.889 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 168.7 20.87 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.656 2.237 . . . . 0.0 112.312 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.7 m 46.31 53.23 9.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.5 m -148.11 133.69 18.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 15.4 t-160 -83.59 130.26 34.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.833 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -124.64 142.29 51.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 57.2 t -102.02 111.68 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.15 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 3.8 mp -100.2 131.44 47.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.441 ' CG2' ' O ' ' A' ' 110' ' ' LEU . 40.4 p -131.54 120.33 22.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.435 ' CD2' ' HB2' ' A' ' 47' ' ' TRP . 9.7 tp -107.86 139.47 42.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -140.71 148.61 41.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.42 ' C ' ' HG2' ' A' ' 28' ' ' PRO . . . -97.14 129.04 44.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.525 ' CZ ' ' HE3' ' A' ' 75' ' ' LYS . 31.6 p90 -137.27 136.12 37.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 51.9 p-10 -125.37 -174.9 3.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -55.4 -23.88 27.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.853 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.454 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 61.3 t -77.19 -41.6 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.169 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 166.84 -153.68 23.56 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.472 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -107.77 179.92 4.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.911 0.386 . . . . 0.0 110.897 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -129.2 -144.92 5.8 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.486 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.467 ' N ' HD12 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -106.6 119.22 52.33 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.651 0.739 . . . . 0.0 111.098 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 164.22 35.36 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.662 2.241 . . . . 0.0 112.367 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.441 ' O ' ' CG2' ' A' ' 97' ' ' THR . 10.3 mt -109.09 -177.97 3.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.939 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -136.8 120.45 17.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -131.18 174.84 9.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 45.2 p -139.08 133.78 32.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -144.37 121.44 11.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 82.9 t -109.36 107.58 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 34.7 p -57.77 132.37 53.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.144 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 46.6 mtp180 -62.08 151.5 80.65 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.603 0.716 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 121.37 8.05 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.708 2.272 . . . . 0.0 112.374 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -57.59 141.35 48.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 45.4 p -140.66 119.29 12.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 42.0 t -101.47 87.75 3.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -164.93 98.31 0.15 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.493 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -28.48 25.23 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.653 2.236 . . . . 0.0 112.385 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.7 t -48.26 -55.98 9.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 38.9 m -94.97 150.01 20.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.84 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.478 -179.978 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -163.15 120.0 1.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.881 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.3 p -169.37 123.74 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.836 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.48 178.4 39.09 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.518 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 m -116.82 159.74 21.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.856 0.36 . . . . 0.0 110.838 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.5 p -96.29 176.15 6.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.42 89.01 0.42 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.509 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 150.43 68.04 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.665 2.243 . . . . 0.0 112.341 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.79 169.19 16.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.0 t -70.64 93.7 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -96.52 40.9 1.12 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.1 p90 -169.94 162.35 9.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -174.67 166.88 3.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 61.3 p -127.64 -53.31 1.35 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -100.98 145.34 28.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.075 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -110.34 110.16 20.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.3 t -165.19 156.06 14.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 25.5 p90 -166.07 157.27 13.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -85.12 -177.76 6.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.414 ' C ' HD21 ' A' ' 22' ' ' LEU . 11.3 t -156.46 129.61 8.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 71.12 53.63 0.24 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.414 HD21 ' C ' ' A' ' 20' ' ' SER . 0.4 OUTLIER -101.7 165.71 11.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.0 125.15 35.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.492 ' O ' ' CG2' ' A' ' 104' ' ' VAL . 14.5 tt0 -123.97 28.31 6.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 65.7 p -101.07 -23.31 14.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.155 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.3 ptt-85 -120.5 145.67 47.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.445 HG13 ' CA ' ' A' ' 105' ' ' GLY . 11.5 m -76.91 148.38 78.84 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.636 0.731 . . . . 0.0 111.133 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 101.96 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.713 2.276 . . . . 0.0 112.327 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -56.62 177.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.5 p -38.0 130.55 0.96 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.617 0.723 . . . . 0.0 111.147 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.409 ' HG2' ' CD1' ' A' ' 110' ' ' LEU . 54.0 Cg_endo -69.75 171.17 14.95 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.694 2.263 . . . . 0.0 112.357 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.5 t -45.92 -56.02 6.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.4 m -169.13 -176.26 2.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 tp -155.71 117.13 3.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 23.2 t-80 -107.44 142.76 36.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.9 m -132.55 130.12 59.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -112.16 107.97 55.39 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.575 0.702 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 128.87 16.62 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.683 2.255 . . . . 0.0 112.34 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.472 ' O ' ' C ' ' A' ' 40' ' ' VAL . 2.5 mp -121.93 154.33 37.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.472 ' C ' ' O ' ' A' ' 39' ' ' LEU . 44.5 t -31.44 -73.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 72.9 p -115.35 25.67 10.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.149 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.435 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 6.9 m -151.17 178.89 8.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.435 ' CG1' ' O ' ' A' ' 42' ' ' SER . 40.0 mt -158.38 112.52 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.103 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 96.8 t -83.91 99.45 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.2 t -90.76 100.21 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.151 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.4 p -101.11 139.65 36.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.557 ' CZ3' HD13 ' A' ' 62' ' ' ILE . 47.2 p90 -138.96 -179.89 6.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 56.3 p -143.54 152.71 57.32 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.603 0.716 . . . . 0.0 111.14 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 161.52 45.59 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.668 2.245 . . . . 0.0 112.394 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 127.0 14.0 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.718 2.279 . . . . 0.0 112.324 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -42.11 -36.37 1.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -70.48 97.51 1.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -83.31 37.74 0.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -122.39 -20.91 5.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 44.9 mt -85.81 128.23 39.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.7 t -71.28 107.41 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 64.3 t -103.59 114.29 42.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.069 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.433 ' HB3' ' NH1' ' A' ' 58' ' ' ARG . 4.7 mmm180 -81.93 -44.19 17.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -172.03 -179.2 42.8 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.487 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -125.45 168.73 13.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.915 0.388 . . . . 0.0 110.894 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -130.58 122.06 26.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.099 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.557 HD13 ' CZ3' ' A' ' 47' ' ' TRP . 16.8 mt -100.15 137.95 26.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.104 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.437 ' N ' HG21 ' A' ' 62' ' ' ILE . . . -135.57 124.28 3.27 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.412 ' CD1' ' N ' ' A' ' 64' ' ' TYR . 3.5 p90 -125.5 172.04 10.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.935 0.398 . . . . 0.0 110.89 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 153.56 145.47 4.16 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.515 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.486 ' CD1' ' CZ ' ' A' ' 94' ' ' TYR . 47.1 mm -57.67 105.69 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.843 0.354 . . . . 0.0 111.15 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 77.37 -48.02 2.77 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.522 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 26.0 m -115.82 121.05 34.74 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.595 0.712 . . . . 0.0 110.867 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 1.4 4.48 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.666 2.244 . . . . 0.0 112.352 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.406 ' O ' ' CG ' ' A' ' 70' ' ' HIS . 0.4 OUTLIER -86.53 42.8 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -107.95 -53.96 2.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -139.58 153.33 47.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.4 m -135.81 130.05 33.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.176 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 70.1 mt -117.33 117.03 53.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.1 mttt -99.3 123.63 43.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 34.9 m -138.99 162.36 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.146 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.24 158.53 7.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.826 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.426 ' CD2' ' N ' ' A' ' 79' ' ' LYS . 52.0 p90 -61.73 -50.44 72.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.426 ' N ' ' CD2' ' A' ' 78' ' ' TYR . 35.8 mttt -36.59 -50.21 0.79 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.867 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.443 ' O ' ' CZ2' ' A' ' 47' ' ' TRP . 52.6 mm-40 -37.46 112.48 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.966 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 12.0 tpp85 -74.17 -40.64 62.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.543 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 18.8 p90 -155.69 165.73 35.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -130.23 142.01 50.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.949 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 61.7 m -105.19 105.07 14.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.112 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 29.2 mt -87.6 105.43 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -101.97 170.94 7.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 73.89 45.74 0.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 29.4 mt -119.98 157.71 28.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.14 121.32 83.78 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.596 0.712 . . . . 0.0 110.876 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.467 ' CG ' ' HB3' ' A' ' 119' ' ' HIS . 54.0 Cg_endo -69.77 171.7 14.0 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.71 2.274 . . . . 0.0 112.321 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.3 p 50.31 54.99 10.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.823 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.2 m -156.42 148.0 22.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.815 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -92.92 117.59 30.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.486 ' CZ ' ' CD1' ' A' ' 66' ' ' ILE . 21.9 m-85 -108.86 151.06 26.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.953 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 58.6 t -110.16 107.38 22.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.159 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.425 HG23 ' N ' ' A' ' 97' ' ' THR . 3.4 mp -96.2 136.96 25.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.425 ' N ' HG23 ' A' ' 96' ' ' ILE . 72.5 p -135.51 142.82 45.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.158 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.464 HD23 ' CB ' ' A' ' 47' ' ' TRP . 3.3 tp -134.58 144.53 47.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.919 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -147.28 130.45 16.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.87 125.3 29.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.518 ' CB ' ' HB3' ' A' ' 106' ' ' GLU . 3.8 p90 -127.67 144.27 51.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' A' ' 105' ' ' GLY . 40.8 p-10 -136.43 -175.04 3.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -48.31 -42.74 31.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 41.7 t -68.65 -49.8 61.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.445 ' CA ' HG13 ' A' ' 27' ' ' VAL . . . 164.63 -165.2 37.32 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.538 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.518 ' HB3' ' CB ' ' A' ' 101' ' ' PHE . 1.4 pm0 -117.81 166.3 12.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.924 0.393 . . . . 0.0 110.908 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -107.09 -131.74 6.78 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.504 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.442 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -102.68 128.84 27.1 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.602 0.715 . . . . 0.0 111.155 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 168.87 20.26 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.765 2.31 . . . . 0.0 112.361 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.409 ' CD1' ' HG2' ' A' ' 31' ' ' PRO . 25.3 mt -109.07 155.89 20.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -113.57 127.85 56.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -137.45 179.55 6.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 25.3 p -142.22 146.46 35.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -156.71 119.94 4.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 85.2 t -99.53 98.41 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.129 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 117' ' ' ARG . 16.0 p -44.47 122.61 3.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 116' ' ' THR . 6.5 mmm180 -36.75 144.29 0.29 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.619 0.723 . . . . 0.0 110.866 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 100.96 0.85 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.695 2.264 . . . . 0.0 112.354 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.467 ' HB3' ' CG ' ' A' ' 90' ' ' PRO . 55.7 t60 -89.83 44.89 1.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 92.6 m -139.12 110.56 7.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.143 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 69.3 m -150.56 126.75 10.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.81 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -67.73 165.34 44.76 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.474 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -179.43 2.92 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.645 2.23 . . . . 0.0 112.361 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 65.1 m -157.82 130.12 7.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.825 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 5.3 t -88.06 107.41 18.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.451 -179.993 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.0 t0 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.822 0.344 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.487 ' CG ' ' OD1' ' A' ' 103' ' ' ASN . 19.2 tt0 -120.82 18.58 11.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.9 t -93.17 -10.75 34.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.171 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.435 ' HA ' HG11 ' A' ' 104' ' ' VAL . 0.4 OUTLIER -137.16 165.7 25.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.526 HG12 ' N ' ' A' ' 105' ' ' GLY . 21.2 m -84.2 145.82 46.73 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.574 0.702 . . . . 0.0 111.165 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 103.39 1.15 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.729 2.286 . . . . 0.0 112.333 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -56.97 170.95 0.39 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.674 HG23 ' HD2' ' A' ' 31' ' ' PRO . 4.6 p -38.24 138.81 0.69 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.657 0.741 . . . . 0.0 111.125 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.674 ' HD2' HG23 ' A' ' 30' ' ' VAL . 53.9 Cg_endo -69.74 169.82 18.0 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.652 2.235 . . . . 0.0 112.373 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 54.5 p -49.42 -46.81 48.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.838 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -174.94 -176.28 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.4 tp -153.61 117.88 4.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 -108.34 143.7 36.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.1 m -133.46 138.46 51.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.077 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.411 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 22.6 ttt85 -120.69 107.84 37.93 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.606 0.717 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 37' ' ' ARG . 53.6 Cg_endo -69.74 129.83 18.31 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.7 2.267 . . . . 0.0 112.389 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.475 ' O ' HG22 ' A' ' 116' ' ' THR . 2.9 mp -122.44 154.29 37.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.627 HG12 HG23 ' A' ' 41' ' ' THR . 60.7 t -31.88 -72.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.068 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.627 HG23 HG12 ' A' ' 40' ' ' VAL . 67.3 p -117.22 24.37 11.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.124 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.476 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 15.5 m -148.19 -179.26 6.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.828 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.476 ' CG1' ' O ' ' A' ' 42' ' ' SER . 44.4 mt -159.72 109.54 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.153 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.461 HG23 HD13 ' A' ' 39' ' ' LEU . 72.5 t -82.71 97.72 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.162 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 64.4 t -87.57 101.87 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.45 ' HA ' ' CB ' ' A' ' 82' ' ' TYR . 53.0 p -106.14 125.23 50.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.557 ' CZ3' ' HA ' ' A' ' 82' ' ' TYR . 49.1 p90 -121.6 -179.68 4.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.953 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.8 p -144.04 144.18 25.41 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.601 0.715 . . . . 0.0 111.12 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 164.61 33.88 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.641 2.227 . . . . 0.0 112.346 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 51' ' ' GLU . 53.6 Cg_endo -69.75 133.51 25.76 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.735 2.29 . . . . 0.0 112.31 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 50' ' ' PRO . 5.3 mp0 -34.85 -45.75 0.27 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -71.09 109.69 5.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -95.34 37.4 1.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -115.67 -26.58 7.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 25.0 mt -73.09 128.11 35.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.148 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 63.0 t -67.98 110.05 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.643 HG11 ' CZ ' ' A' ' 60' ' ' TYR . 90.9 t -108.64 113.19 43.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.131 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -77.04 -47.93 19.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -173.76 176.35 46.31 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.51 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.643 ' CZ ' HG11 ' A' ' 57' ' ' VAL . 12.2 m-85 -124.64 170.65 10.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.879 0.371 . . . . 0.0 110.923 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.501 ' HB2' ' HE2' ' A' ' 75' ' ' LYS . . . -122.57 137.59 54.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.053 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 23.8 mt -117.94 107.81 22.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -102.48 132.85 11.15 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 47.7 p90 -138.39 158.52 44.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.916 0.389 . . . . 0.0 110.933 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 149.74 142.5 3.59 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.515 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.595 HD11 ' CZ ' ' A' ' 94' ' ' TYR . 4.3 mp -68.16 117.93 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.867 0.365 . . . . 0.0 111.142 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 100.63 -43.24 1.78 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 t -159.29 141.1 9.77 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.664 0.745 . . . . 0.0 110.847 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.479 ' HG3' HG21 ' A' ' 97' ' ' THR . 54.2 Cg_endo -69.73 -23.28 31.11 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.689 2.259 . . . . 0.0 112.341 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -52.97 -28.61 24.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -41.04 -64.56 0.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.057 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -132.67 152.1 51.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 89.0 m -136.78 141.46 42.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.141 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 72.7 mt -125.69 126.53 70.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.501 ' HE2' ' HB2' ' A' ' 61' ' ' ALA . 27.9 mmtp -107.98 137.88 45.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 24.6 m -137.77 -174.98 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.11 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -93.93 154.57 17.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.467 ' CD1' ' N ' ' A' ' 79' ' ' LYS . 20.2 p90 -47.79 -53.31 15.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.467 ' N ' ' CD1' ' A' ' 78' ' ' TYR . 4.7 mtpm? -37.55 -47.68 0.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.428 ' OE1' ' N ' ' A' ' 80' ' ' GLN . 2.4 mp0 -53.02 127.19 23.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -100.01 -33.7 10.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.557 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 39.6 p90 -148.1 157.8 43.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.968 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -126.8 128.34 46.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 96.9 m -97.37 93.58 6.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.144 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.408 ' HB ' HD11 ' A' ' 88' ' ' LEU . 32.2 mt -73.8 104.75 2.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.173 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.456 ' C ' ' CG ' ' A' ' 87' ' ' ASN . 47.5 mt-10 -92.86 -176.02 4.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.456 ' CG ' ' C ' ' A' ' 86' ' ' GLU . 0.5 OUTLIER 48.5 52.68 13.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.435 ' CD1' HG13 ' A' ' 43' ' ' ILE . 57.7 mt -109.25 -176.17 2.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -108.41 118.65 51.69 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.615 0.722 . . . . 0.0 110.863 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 165.23 31.63 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.685 2.256 . . . . 0.0 112.338 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.6 m 53.32 49.62 19.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.3 m -153.98 133.02 12.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.864 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -79.3 112.23 16.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.834 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.595 ' CZ ' HD11 ' A' ' 66' ' ' ILE . 16.9 m-85 -102.09 125.57 48.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 87.2 t -89.01 103.39 13.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.139 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.452 HD12 ' O ' ' A' ' 94' ' ' TYR . 4.5 mp -95.72 133.13 37.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.635 HG22 ' O ' ' A' ' 110' ' ' LEU . 37.3 p -123.63 162.79 22.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.516 HD22 ' CB ' ' A' ' 47' ' ' TRP . 11.1 tp -148.54 129.8 14.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.424 ' HG2' ' HB3' ' A' ' 61' ' ' ALA . 14.6 ptpt -138.02 136.31 36.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.47 128.49 36.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 43.9 p90 -132.7 144.96 50.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 40.7 p-10 -141.63 -175.8 4.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.487 ' OD1' ' CG ' ' A' ' 24' ' ' GLU . 5.7 p-10 -53.54 -31.92 48.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.435 HG11 ' HA ' ' A' ' 26' ' ' ARG . 99.0 t -69.95 -44.62 78.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.162 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.526 ' N ' HG12 ' A' ' 27' ' ' VAL . . . 164.23 -170.51 39.47 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -97.45 156.69 16.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.952 0.406 . . . . 0.0 110.834 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -105.8 -150.73 19.15 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.534 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.536 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -101.14 125.43 38.08 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.653 0.74 . . . . 0.0 111.119 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 161.34 46.32 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.671 2.248 . . . . 0.0 112.401 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.635 ' O ' HG22 ' A' ' 97' ' ' THR . 40.9 mt -110.05 163.78 13.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.915 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -122.78 124.49 43.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.975 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -133.38 178.34 6.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 25.1 p -141.66 138.43 32.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -149.25 111.05 4.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.053 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 58.1 t -98.68 108.41 22.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.475 HG22 ' O ' ' A' ' 39' ' ' LEU . 12.3 p -59.23 138.32 57.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -64.04 150.08 92.57 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.581 0.705 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--O 1.232 0.208 0 C-N-CA 122.672 2.248 . . . . 0.0 112.335 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.8 t70 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.763 0.316 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -120.06 30.04 7.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.3 t -105.2 -18.19 14.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.672 ' CA ' HG11 ' A' ' 104' ' ' VAL . 24.5 ptt180 -126.83 170.41 12.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.821 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.56 HG12 ' N ' ' A' ' 105' ' ' GLY . 19.1 m -93.21 147.62 34.13 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.611 0.719 . . . . 0.0 111.138 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.423 ' HD3' ' CG ' ' A' ' 102' ' ' ASN . 53.9 Cg_endo -69.69 102.02 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.664 2.242 . . . . 0.0 112.385 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 30' ' ' VAL . 6.0 mm-40 -53.13 169.59 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.501 HG23 ' HD2' ' A' ' 31' ' ' PRO . 7.5 p -37.87 134.66 0.83 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.652 0.739 . . . . 0.0 111.107 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.501 ' HD2' HG23 ' A' ' 30' ' ' VAL . 53.8 Cg_endo -69.71 -179.97 3.26 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.689 2.26 . . . . 0.0 112.341 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.42 ' OG ' ' N ' ' A' ' 33' ' ' SER . 3.6 p -51.12 -58.23 6.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.814 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.42 ' N ' ' OG ' ' A' ' 32' ' ' SER . 79.7 p -166.11 -175.0 3.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.818 ' HB3' HD13 ' A' ' 110' ' ' LEU . 2.7 tp -153.58 119.84 5.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.93 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -105.77 149.82 26.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.0 m -137.88 138.39 44.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.402 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 21.4 ttt180 -124.48 109.25 28.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.661 0.743 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 37' ' ' ARG . 54.3 Cg_endo -69.73 128.02 15.45 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.668 2.245 . . . . 0.0 112.394 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.491 ' O ' ' C ' ' A' ' 40' ' ' VAL . 4.7 mp -121.37 154.65 36.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.562 HG12 HG23 ' A' ' 41' ' ' THR . 59.3 t -30.21 -72.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.562 HG23 HG12 ' A' ' 40' ' ' VAL . 29.6 p -119.47 24.63 10.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.466 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 17.5 p -148.46 -178.4 6.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.82 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.466 ' CG1' ' O ' ' A' ' 42' ' ' SER . 52.7 mt -159.25 108.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.119 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.504 HG13 ' CD2' ' A' ' 82' ' ' TYR . 87.2 t -77.83 95.19 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.101 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.9 t -85.07 101.69 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 41.3 p -103.99 126.77 51.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.601 ' CB ' HD22 ' A' ' 98' ' ' LEU . 48.3 p90 -126.36 -175.31 3.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.4 p -145.88 156.83 51.53 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.562 0.696 . . . . 0.0 111.176 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 161.08 47.29 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.668 2.246 . . . . 0.0 112.406 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 142.73 48.69 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.708 2.272 . . . . 0.0 112.345 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -50.48 -47.11 57.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.845 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -83.92 98.06 9.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 54' ' ' ASN . 17.2 mm100 -71.51 -35.44 70.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 53' ' ' GLN . 2.0 m-80 -35.28 -41.5 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 56.2 mt -69.26 131.01 34.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 93.2 t -65.06 143.31 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.128 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.1 t -140.76 113.32 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -82.24 -38.84 23.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -178.14 -169.96 39.68 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.513 ' CD1' ' HA ' ' A' ' 78' ' ' TYR . 17.2 m-85 -134.17 150.92 51.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.872 0.368 . . . . 0.0 110.914 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -111.86 131.2 55.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.077 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.536 HD11 ' CH2' ' A' ' 47' ' ' TRP . 18.9 mt -109.56 135.21 49.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -130.29 137.37 9.47 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -143.2 144.59 32.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.909 0.385 . . . . 0.0 110.92 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 176.67 132.88 1.71 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.52 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 43.5 mt -60.4 105.13 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.83 0.347 . . . . 0.0 111.105 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 106.6 -40.14 2.61 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.487 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.7 t -158.34 141.5 10.83 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.648 0.737 . . . . 0.0 110.877 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 2.34 3.58 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.688 2.259 . . . . 0.0 112.353 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -86.68 41.58 0.96 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -114.35 -49.28 2.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 55.5 mm-40 -141.04 157.88 44.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.6 m -141.51 129.82 22.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 91.4 mt -123.95 108.29 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -97.12 123.67 40.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.922 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 33.4 m -136.22 155.83 35.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.112 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -44.85 153.44 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.513 ' HA ' ' CD1' ' A' ' 60' ' ' TYR . 52.5 p90 -59.54 -48.07 83.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 80' ' ' GLN . 8.6 mtmp? -39.52 -47.12 1.83 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 79' ' ' LYS . 5.8 mm100 -35.4 112.01 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -78.35 -38.17 42.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.844 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.504 ' CD2' HG13 ' A' ' 44' ' ' VAL . 24.1 p90 -157.79 162.55 38.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -132.7 141.03 48.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 50.2 m -103.71 94.22 5.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.17 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 59.8 mt -68.47 117.58 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -105.44 179.74 4.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 67.26 44.26 1.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 64.6 mt -118.15 166.5 12.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -111.38 136.13 20.98 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.575 0.702 . . . . 0.0 110.902 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 161.14 47.07 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.404 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 m 62.02 46.51 6.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 42.4 m -152.06 133.55 14.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.805 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -80.0 131.8 35.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.553 ' O ' HD12 ' A' ' 96' ' ' ILE . 61.3 m-85 -124.23 120.77 33.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 99.7 t -85.71 109.83 18.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.157 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.553 HD12 ' O ' ' A' ' 94' ' ' TYR . 4.2 mp -100.3 135.3 36.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.793 HG22 ' O ' ' A' ' 110' ' ' LEU . 38.5 p -128.95 145.14 51.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.601 HD22 ' CB ' ' A' ' 47' ' ' TRP . 11.9 tp -131.67 132.86 44.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.0 ptpp? -136.53 127.26 27.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 107' ' ' GLY . . . -83.03 122.66 28.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.087 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -122.26 168.83 11.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.423 ' CG ' ' HD3' ' A' ' 28' ' ' PRO . 43.0 p-10 -161.44 -175.13 4.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -52.8 -34.41 53.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.672 HG11 ' CA ' ' A' ' 26' ' ' ARG . 99.1 t -65.88 -49.28 78.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.56 ' N ' HG12 ' A' ' 27' ' ' VAL . . . 178.07 -129.47 1.43 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.47 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.429 ' O ' HG21 ' A' ' 27' ' ' VAL . 26.6 mt-10 -130.99 158.62 39.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.886 0.374 . . . . 0.0 110.867 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 100' ' ' ALA . . . -102.1 -175.0 27.75 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.523 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 6.1 mm -82.29 127.47 71.11 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.621 0.724 . . . . 0.0 111.116 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.421 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 53.6 Cg_endo -69.72 162.66 41.19 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.738 2.292 . . . . 0.0 112.327 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.818 HD13 ' HB3' ' A' ' 34' ' ' LEU . 32.9 mt -110.43 178.85 4.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.965 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -139.15 115.01 10.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -129.05 176.38 7.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 52.8 p -140.97 134.29 29.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -144.2 114.22 7.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.096 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 97.5 t -99.4 96.07 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.087 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 23.0 p -41.54 141.4 0.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.18 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 48.3 mtt-85 -51.11 157.09 1.57 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.594 0.712 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.163 0 C-N-CA 122.688 2.259 . . . . 0.0 112.357 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.838 0.351 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -128.09 32.46 4.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 65.6 p -106.87 -19.86 13.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.142 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -123.44 150.65 43.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.836 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.515 HG12 ' N ' ' A' ' 105' ' ' GLY . 29.6 m -77.95 148.36 75.29 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.662 0.744 . . . . 0.0 111.137 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.485 ' HD3' ' ND2' ' A' ' 102' ' ' ASN . 54.2 Cg_endo -69.69 102.84 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.718 2.279 . . . . 0.0 112.31 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -49.23 179.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.661 HG23 ' HD2' ' A' ' 31' ' ' PRO . 4.7 p -47.83 138.85 9.51 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.618 0.723 . . . . 0.0 111.134 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.661 ' HD2' HG23 ' A' ' 30' ' ' VAL . 53.7 Cg_endo -69.73 167.58 23.98 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.725 2.283 . . . . 0.0 112.316 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -48.75 -50.14 35.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 t -174.07 -176.99 1.24 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.843 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 tp -153.98 110.11 3.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -98.2 141.75 30.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.823 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.4 m -128.16 139.31 52.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.57 ' HG3' HD12 ' A' ' 39' ' ' LEU . 15.3 tpp180 -123.72 107.72 31.24 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.652 0.739 . . . . 0.0 110.838 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 37' ' ' ARG . 53.6 Cg_endo -69.81 127.77 15.02 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.674 2.25 . . . . 0.0 112.358 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.704 ' CD1' HG23 ' A' ' 44' ' ' VAL . 5.0 mp -121.87 154.4 37.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.648 HG12 HG23 ' A' ' 41' ' ' THR . 94.9 t -31.18 -71.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.648 HG23 HG12 ' A' ' 40' ' ' VAL . 43.9 p -119.12 23.68 11.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.104 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.5 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 1.4 t -147.47 -177.85 5.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.871 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.5 ' CG1' ' O ' ' A' ' 42' ' ' SER . 23.1 mt -160.76 105.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.704 HG23 ' CD1' ' A' ' 39' ' ' LEU . 2.6 t -77.62 97.92 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 72.0 t -86.64 100.09 9.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.11 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 85.3 p -105.3 124.55 49.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.518 ' CZ2' ' O ' ' A' ' 80' ' ' GLN . 45.2 p90 -125.43 -176.36 3.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.4 p -137.7 153.92 74.43 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.571 0.701 . . . . 0.0 111.143 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 161.77 44.66 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.698 2.265 . . . . 0.0 112.338 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 122.81 9.49 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.672 2.248 . . . . 0.0 112.34 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.5 mp0 -39.26 -41.37 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -71.12 108.09 4.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -93.29 35.04 1.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.945 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -113.6 -26.95 8.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.471 HD13 ' HA ' ' A' ' 28' ' ' PRO . 12.4 mt -84.47 127.38 39.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.166 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 77.2 t -68.79 118.41 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.1 t -107.03 125.66 63.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -96.98 -32.48 11.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 175.93 -177.37 47.62 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.448 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -133.0 165.53 24.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.914 0.388 . . . . 0.0 110.882 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.36 125.56 45.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.095 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.404 HD11 ' CH2' ' A' ' 47' ' ' TRP . 14.4 mt -111.34 108.53 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -100.55 142.83 16.01 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.483 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -144.94 155.47 43.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.911 0.386 . . . . 0.0 110.918 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.469 ' HA3' ' HB3' ' A' ' 71' ' ' ALA . . . 169.08 156.04 10.3 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.449 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.823 HD11 ' CZ ' ' A' ' 94' ' ' TYR . 47.3 mm -78.32 88.36 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.872 0.368 . . . . 0.0 111.133 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.67 -35.32 4.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.47 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 70.9 m -153.96 141.85 13.91 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.71 0.767 . . . . 0.0 110.839 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 0.33 5.78 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.372 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.426 ' O ' ' C ' ' A' ' 71' ' ' ALA . 23.4 m-70 -76.59 -33.72 58.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.469 ' HB3' ' HA3' ' A' ' 65' ' ' GLY . . . -35.32 -61.45 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.09 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -141.4 155.77 45.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.6 m -140.71 134.62 30.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.132 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 86.6 mt -122.31 112.85 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 44.0 mttp -100.37 134.64 43.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.2 m -132.21 176.71 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.69 -179.53 0.88 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -86.54 -15.9 38.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 63.6 mttt -87.13 34.92 0.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.907 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.518 ' O ' ' CZ2' ' A' ' 47' ' ' TRP . 60.2 mm-40 -121.32 115.69 23.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -85.14 -39.4 17.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -145.01 162.3 37.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -141.69 133.88 27.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.933 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 52.7 m -96.82 111.4 23.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.12 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 70.4 mt -91.08 98.24 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.122 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -93.65 176.31 6.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.3 m120 70.32 44.67 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.853 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 85.8 mt -115.57 171.06 7.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -100.17 122.96 48.55 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.598 0.713 . . . . 0.0 110.866 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 157.34 60.66 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.644 2.23 . . . . 0.0 112.344 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 37.2 t 64.43 47.08 3.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.7 m -155.27 141.34 18.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -79.5 135.71 36.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.823 ' CZ ' HD11 ' A' ' 66' ' ' ILE . 24.9 m-85 -128.14 131.01 48.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 65.5 t -96.53 122.01 47.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.16 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.55 ' N ' HD12 ' A' ' 96' ' ' ILE . 4.0 mp -112.11 135.33 51.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.783 HG22 ' O ' ' A' ' 110' ' ' LEU . 22.7 p -130.31 145.19 51.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 5.3 tp -136.58 136.33 39.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.0 ptpp? -139.85 132.06 28.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -80.94 123.0 27.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.418 ' C ' ' CD1' ' A' ' 101' ' ' PHE . 9.0 p90 -124.81 162.67 23.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.485 ' ND2' ' HD3' ' A' ' 28' ' ' PRO . 42.6 p-10 -159.2 -175.91 5.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -51.93 -34.65 42.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 52.6 t -65.45 -48.44 82.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.137 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.515 ' N ' HG12 ' A' ' 27' ' ' VAL . . . 173.26 -129.56 1.7 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.512 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -133.03 158.07 43.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.895 0.378 . . . . 0.0 110.876 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -105.07 -167.08 24.05 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.461 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 5.3 mm -85.15 124.32 72.26 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.613 0.72 . . . . 0.0 111.136 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 167.85 23.2 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.668 2.245 . . . . 0.0 112.355 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.783 ' O ' HG22 ' A' ' 97' ' ' THR . 67.2 mt -118.38 176.35 5.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -136.14 125.44 24.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.945 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -134.6 174.51 10.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 71.8 p -138.24 135.32 35.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -145.25 115.04 7.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.098 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 80.1 t -102.01 102.12 13.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 40.8 p -48.22 146.08 2.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 26.6 mtp180 -74.53 158.04 85.51 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.61 0.719 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.19 0 C-N-CA 122.691 2.261 . . . . 0.0 112.374 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.806 0.336 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.635 ' O ' HG21 ' A' ' 104' ' ' VAL . 39.2 tt0 -83.55 -34.36 25.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 64.4 p -43.11 -23.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 24' ' ' GLU . 9.5 ptp180 -106.09 145.47 31.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.4 m -82.41 148.93 60.3 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.621 0.724 . . . . 0.0 111.129 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 102.55 1.04 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.715 2.277 . . . . 0.0 112.323 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -56.69 -179.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.556 ' CG2' HD21 ' A' ' 110' ' ' LEU . 0.4 OUTLIER -43.92 133.21 4.1 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.599 0.714 . . . . 0.0 111.157 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 167.18 25.22 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.719 2.279 . . . . 0.0 112.31 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -43.54 -54.12 5.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.5 p -172.73 179.27 2.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.837 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.857 HD23 ' OE1' ' A' ' 112' ' ' GLU . 1.9 tp -146.62 119.53 8.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 21.3 t-80 -110.68 147.99 33.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 23.7 m -138.13 161.1 32.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.431 ' HD3' ' C ' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -140.05 109.61 7.05 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.636 0.731 . . . . 0.0 110.887 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.527 ' HB3' ' HB1' ' A' ' 114' ' ' ALA . 53.4 Cg_endo -69.79 120.11 6.94 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.677 2.251 . . . . 0.0 112.317 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.47 ' O ' ' C ' ' A' ' 40' ' ' VAL . 4.9 mp -115.86 154.09 30.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.95 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.613 HG12 HG23 ' A' ' 41' ' ' THR . 74.8 t -31.95 -75.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.143 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.613 HG23 HG12 ' A' ' 40' ' ' VAL . 17.1 p -113.1 23.34 13.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.158 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.504 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 1.2 p -149.15 -178.96 6.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.504 ' CG1' ' O ' ' A' ' 42' ' ' SER . 22.0 mt -160.6 108.17 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.419 HG23 HD13 ' A' ' 39' ' ' LEU . 96.6 t -75.08 118.55 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.7 t -108.56 102.41 13.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.8 p -109.0 128.33 54.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.823 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.565 ' CZ2' ' O ' ' A' ' 80' ' ' GLN . 41.7 p90 -128.67 -178.72 4.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.6 p -139.77 153.15 69.7 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.525 0.679 . . . . 0.0 111.189 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 157.33 60.75 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.699 2.266 . . . . 0.0 112.326 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 126.55 13.47 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.694 2.263 . . . . 0.0 112.382 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -47.44 -25.62 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -86.4 94.34 9.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 -77.98 -17.7 56.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.432 ' H ' ' ND2' ' A' ' 54' ' ' ASN . 3.8 m-80 -54.91 -29.33 55.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 10.7 mt -89.22 137.98 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.156 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.8 t -81.48 133.3 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.126 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.0 t -119.65 130.55 73.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.8 mmp_? -100.72 -28.7 12.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.522 ' C ' ' CE1' ' A' ' 101' ' ' PHE . . . 173.45 177.23 42.53 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -123.92 164.61 18.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.913 0.387 . . . . 0.0 110.897 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.488 ' HB3' ' HG3' ' A' ' 99' ' ' LYS . . . -121.71 116.13 23.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.118 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.1 mt -99.02 143.3 13.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -137.4 145.91 17.7 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.513 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.453 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 5.8 p90 -147.95 158.52 44.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.905 0.383 . . . . 0.0 110.898 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 154.46 147.46 4.68 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.492 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 15.7 mt -69.87 110.04 2.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.855 0.359 . . . . 0.0 111.183 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 98.88 -47.58 1.38 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.8 m -148.0 140.28 14.49 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.622 0.725 . . . . 0.0 110.859 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.52 ' HG3' HG21 ' A' ' 97' ' ' THR . 53.5 Cg_endo -69.81 -23.12 30.95 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.67 2.247 . . . . 0.0 112.315 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -44.71 -25.6 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 64' ' ' TYR . . . -41.33 -71.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -134.04 148.69 51.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 63.3 m -128.94 124.92 36.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.174 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 50.0 mt -111.58 110.44 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.08 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 49.5 mttt -98.07 123.92 42.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 30.9 m -123.13 -176.13 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.166 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -71.85 -177.75 2.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -93.76 -4.05 51.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.7 mtmt -101.39 32.69 3.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.565 ' O ' ' CZ2' ' A' ' 47' ' ' TRP . 46.7 mm-40 -113.64 109.24 18.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -69.99 -42.3 73.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 18.4 p90 -151.1 165.68 33.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -135.84 137.37 41.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.951 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 88.5 m -100.33 114.01 27.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 33.1 mt -95.29 114.58 32.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.14 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -112.41 168.81 9.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 74.61 48.42 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 55.2 mt -119.14 166.94 12.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -89.68 121.82 68.71 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.63 0.729 . . . . 0.0 110.863 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 150.56 68.7 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.393 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.3 t 67.39 48.62 1.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.7 m -152.82 138.96 18.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -79.01 134.36 36.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -130.28 129.85 43.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 77.2 t -88.21 114.58 27.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.099 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 3.0 mp -101.19 130.31 50.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.1 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.52 HG21 ' HG3' ' A' ' 69' ' ' PRO . 31.1 p -129.17 154.94 46.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.558 HD22 ' CB ' ' A' ' 47' ' ' TRP . 4.9 tp -150.37 141.94 23.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.488 ' HG3' ' HB3' ' A' ' 61' ' ' ALA . 3.0 pttt -149.7 148.27 29.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -96.79 137.91 35.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.07 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.522 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 52.8 p90 -131.5 166.45 21.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 39.1 p-10 -151.0 -179.15 7.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -55.28 -14.48 1.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.635 HG21 ' O ' ' A' ' 24' ' ' GLU . 94.8 t -90.7 -49.94 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.149 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 172.16 -160.7 32.29 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.459 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -110.95 176.98 4.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.892 0.377 . . . . 0.0 110.872 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -122.44 -144.53 6.76 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.521 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.5 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -105.23 112.93 64.98 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.59 0.709 . . . . 0.0 111.19 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 167.07 25.44 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.676 2.25 . . . . 0.0 112.362 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.556 HD21 ' CG2' ' A' ' 30' ' ' VAL . 6.3 mt -108.75 167.13 10.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -118.67 132.94 56.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.857 ' OE1' HD23 ' A' ' 34' ' ' LEU . 2.3 mp0 -132.67 172.98 11.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 62.1 p -140.72 135.63 31.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.527 ' HB1' ' HB3' ' A' ' 38' ' ' PRO . . . -147.01 126.34 13.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 47.0 t -110.07 101.29 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.168 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 33.4 p -51.31 149.02 4.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 44.6 mtt180 -78.18 153.42 79.63 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.608 0.718 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.186 0 C-N-CA 122.678 2.252 . . . . 0.0 112.317 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 t0 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.811 0.338 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.798 ' O ' HG21 ' A' ' 104' ' ' VAL . 53.1 tt0 -105.61 -34.55 7.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.6 t -38.82 -26.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.131 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 24' ' ' GLU . 2.4 ptm85 -108.27 159.35 16.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.498 HG12 ' HB ' ' A' ' 104' ' ' VAL . 8.1 m -91.65 146.31 32.89 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.627 0.727 . . . . 0.0 111.109 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.417 ' HG2' ' C ' ' A' ' 100' ' ' ALA . 53.6 Cg_endo -69.8 123.9 10.54 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.644 2.229 . . . . 0.0 112.354 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -75.94 -177.46 3.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.517 ' CG2' HD21 ' A' ' 110' ' ' LEU . 0.8 OUTLIER -49.12 131.53 16.05 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.645 0.736 . . . . 0.0 111.138 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.685 ' HG2' HD11 ' A' ' 110' ' ' LEU . 53.7 Cg_endo -69.79 171.23 14.87 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.659 2.24 . . . . 0.0 112.329 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.2 p -45.66 -52.3 10.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 t -174.59 -176.01 1.0 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.512 HD22 ' HB3' ' A' ' 98' ' ' LEU . 2.5 tp -149.46 114.4 5.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -98.13 143.3 28.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.824 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.2 m -136.02 145.46 31.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.171 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -130.35 111.79 16.69 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.583 0.706 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 122.72 9.39 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.645 2.23 . . . . 0.0 112.332 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.481 ' O ' ' C ' ' A' ' 40' ' ' VAL . 5.2 mp -116.63 154.53 30.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.616 HG12 HG23 ' A' ' 41' ' ' THR . 78.4 t -30.98 -73.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.616 HG23 HG12 ' A' ' 40' ' ' VAL . 21.1 p -116.27 24.5 11.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.129 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.47 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 1.9 p -149.74 -177.8 6.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.47 ' CG1' ' O ' ' A' ' 42' ' ' SER . 20.9 mt -159.54 108.44 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.151 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 83.0 t -73.95 108.9 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.152 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 81.3 t -100.61 100.74 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.6 p -108.87 132.2 54.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.612 ' CB ' HD22 ' A' ' 98' ' ' LEU . 39.4 p90 -136.72 177.99 7.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.964 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -139.77 157.93 68.85 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.606 0.717 . . . . 0.0 111.113 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 157.86 58.93 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.673 2.248 . . . . 0.0 112.362 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.449 ' O ' ' N ' ' A' ' 52' ' ' ASN . 53.4 Cg_endo -69.75 133.79 26.43 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.719 2.279 . . . . 0.0 112.324 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 50' ' ' PRO . 34.2 mt-10 -37.23 -31.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.828 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 50' ' ' PRO . 31.0 t-20 -92.14 86.91 5.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -76.9 -19.39 57.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -51.28 -17.29 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 11.9 mt -91.8 144.39 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 77.7 t -82.73 139.53 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.48 HG12 ' H ' ' A' ' 59' ' ' GLY . 46.4 t -133.51 118.62 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.115 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -82.44 -10.35 59.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.48 ' H ' HG12 ' A' ' 57' ' ' VAL . . . 151.24 177.61 25.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.521 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -124.99 157.19 36.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.848 0.356 . . . . 0.0 110.981 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -113.09 129.37 56.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.101 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 17.1 mt -111.06 114.18 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.099 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -107.04 123.9 7.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.493 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -131.15 154.46 48.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.968 0.413 . . . . 0.0 110.908 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.56 ' HA3' ' HB3' ' A' ' 71' ' ' ALA . . . 165.42 145.9 4.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.514 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.478 HG13 ' CE2' ' A' ' 94' ' ' TYR . 58.8 mt -69.74 99.77 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.845 0.355 . . . . 0.0 111.139 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.36 -45.02 1.36 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.498 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 80.2 p -134.57 130.86 20.06 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.63 0.728 . . . . 0.0 110.855 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -18.95 36.79 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.699 2.266 . . . . 0.0 112.342 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -70.76 -21.56 62.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.56 ' HB3' ' HA3' ' A' ' 65' ' ' GLY . . . -39.31 -48.62 1.88 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.099 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -140.62 156.92 46.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.6 m -141.78 143.07 33.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 88.9 mt -138.6 109.17 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.155 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.3 mttp -97.09 120.49 37.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 29.4 m -126.58 157.66 37.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.126 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -49.06 177.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.514 ' CE1' ' HG2' ' A' ' 79' ' ' LYS . 30.1 p90 -79.64 -49.64 11.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.961 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.514 ' HG2' ' CE1' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -39.44 -30.88 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.947 179.868 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -60.87 124.13 19.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.7 ttm-85 -101.55 -27.46 13.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.837 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.495 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 9.4 p90 -151.64 164.92 35.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -140.8 137.82 33.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.985 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 83.4 m -97.99 97.54 9.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.552 ' CG2' HD11 ' A' ' 88' ' ' LEU . 61.8 mt -73.75 118.38 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -114.07 176.39 5.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 64.98 52.65 1.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.552 HD11 ' CG2' ' A' ' 85' ' ' ILE . 52.3 mt -123.23 169.15 11.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -98.4 127.04 37.38 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.572 0.701 . . . . 0.0 110.843 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 148.04 63.86 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.668 2.245 . . . . 0.0 112.333 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.3 t 67.32 45.02 1.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 t -143.75 142.34 30.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -83.7 133.79 34.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.818 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.478 ' CE2' HG13 ' A' ' 66' ' ' ILE . 24.1 m-85 -126.77 144.05 51.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 18.3 t -107.44 104.95 17.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.094 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.505 ' N ' HD12 ' A' ' 96' ' ' ILE . 2.3 mp -93.16 139.14 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.804 HG22 ' O ' ' A' ' 110' ' ' LEU . 7.8 p -135.84 133.81 38.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.612 HD22 ' CB ' ' A' ' 47' ' ' TRP . 4.8 tp -125.89 140.96 52.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.6 ptpt -151.33 140.21 20.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.417 ' C ' ' HG2' ' A' ' 28' ' ' PRO . . . -84.51 133.49 34.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.093 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -137.78 140.3 40.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.897 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 45.3 p-10 -126.19 -175.38 3.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -53.39 -19.08 3.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.798 HG21 ' O ' ' A' ' 24' ' ' GLU . 3.3 t -87.92 -49.55 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 166.74 -166.87 39.31 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.443 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -111.66 160.44 17.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.92 0.391 . . . . 0.0 110.889 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -101.55 -126.42 5.83 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.49 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.539 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -106.58 121.46 45.11 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.632 0.729 . . . . 0.0 111.159 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 169.99 17.66 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.679 2.252 . . . . 0.0 112.361 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.804 ' O ' HG22 ' A' ' 97' ' ' THR . 10.9 mt -109.98 -179.49 3.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -137.9 124.63 21.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -137.47 172.36 13.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 25.7 p -141.48 140.64 33.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -148.89 111.92 4.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.062 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 116' ' ' THR . 36.4 t -92.98 95.99 5.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 115' ' ' VAL . 2.5 p -38.24 152.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 71.6 mtt-85 -84.57 154.42 62.14 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.628 0.727 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.404 179.971 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.749 0.309 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -130.08 38.17 3.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.2 p -111.84 -20.16 12.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.482 ' CA ' HG11 ' A' ' 104' ' ' VAL . 2.9 ptm85 -125.39 161.12 27.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 32.8 m -81.19 146.98 59.61 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.646 0.736 . . . . 0.0 111.149 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 102.9 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.674 2.249 . . . . 0.0 112.33 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 30' ' ' VAL . 2.9 pt-20 -56.39 167.55 0.67 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.622 HG23 ' HD2' ' A' ' 31' ' ' PRO . 3.9 p -34.12 137.61 0.32 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.619 0.723 . . . . 0.0 111.137 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.622 ' HD2' HG23 ' A' ' 30' ' ' VAL . 53.3 Cg_endo -69.77 170.31 16.9 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.679 2.253 . . . . 0.0 112.346 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.1 t -46.63 -47.22 20.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -174.46 174.74 2.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.888 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.528 HD22 ' HB3' ' A' ' 98' ' ' LEU . 5.7 tp -148.78 112.17 4.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 23.6 t60 -103.27 147.84 26.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 23.7 m -134.7 145.26 32.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.088 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.401 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 26.5 ttm180 -129.94 109.8 16.96 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.563 0.697 . . . . 0.0 110.864 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 37' ' ' ARG . 53.7 Cg_endo -69.77 127.36 14.48 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.701 2.267 . . . . 0.0 112.295 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.506 HD13 HG23 ' A' ' 44' ' ' VAL . 4.5 mp -118.19 154.41 32.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.679 HG12 HG23 ' A' ' 41' ' ' THR . 78.1 t -30.67 -74.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.127 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.679 HG23 HG12 ' A' ' 40' ' ' VAL . 65.8 p -116.59 26.52 9.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.438 ' C ' HG13 ' A' ' 43' ' ' ILE . 2.2 p -151.61 -177.83 6.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.438 HG13 ' C ' ' A' ' 42' ' ' SER . 61.8 mt -157.19 118.98 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.114 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.506 HG23 HD13 ' A' ' 39' ' ' LEU . 87.6 t -89.17 105.33 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 67.9 t -97.97 103.26 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.6 t -107.38 126.99 53.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.65 ' CZ3' HD11 ' A' ' 62' ' ' ILE . 45.1 p90 -126.14 168.47 13.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 68.4 p -129.85 152.43 79.87 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.604 0.716 . . . . 0.0 111.109 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 156.53 63.05 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.663 2.242 . . . . 0.0 112.359 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 51' ' ' GLU . 53.7 Cg_endo -69.81 125.07 11.7 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.698 2.266 . . . . 0.0 112.328 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 50' ' ' PRO . 4.9 pt-20 -37.37 -38.51 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -78.11 86.11 4.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 54' ' ' ASN . 44.7 mm-40 -64.54 -36.43 84.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 53' ' ' GLN . 24.1 m120 -38.16 -39.32 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 68.8 mt -68.59 126.61 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.098 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.0 t -69.98 108.92 2.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.12 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.7 t -106.29 105.89 19.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -79.06 -37.8 38.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -178.01 -172.86 42.9 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.469 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -133.63 174.09 10.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.895 0.378 . . . . 0.0 110.893 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.41 ' HB3' ' CG ' ' A' ' 99' ' ' LYS . . . -131.93 116.63 17.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.082 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.65 HD11 ' CZ3' ' A' ' 47' ' ' TRP . 47.3 mt -95.49 139.01 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.08 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -130.74 134.06 7.59 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.45 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.429 ' C ' ' HA ' ' A' ' 69' ' ' PRO . 21.9 p90 -142.09 171.57 13.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.915 0.388 . . . . 0.0 110.916 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 144.51 128.54 2.11 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.463 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.471 HG13 ' CE1' ' A' ' 94' ' ' TYR . 40.3 mt -48.57 105.64 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.885 0.374 . . . . 0.0 111.108 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.58 -52.65 0.76 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.505 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.9 m -143.65 143.6 24.19 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.654 0.74 . . . . 0.0 110.902 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.45 ' HG3' HG21 ' A' ' 97' ' ' THR . 53.9 Cg_endo -69.74 -40.06 5.8 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.703 2.269 . . . . 0.0 112.329 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.419 ' C ' ' O ' ' A' ' 69' ' ' PRO . 4.2 p-80 -36.86 -36.05 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -39.57 -50.47 2.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -142.47 152.29 42.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 89.7 m -142.61 127.09 17.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 32.9 mt -117.57 119.44 61.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.158 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.1 mttt -102.64 132.64 48.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 26.8 m -137.3 150.41 26.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.177 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -53.11 161.93 0.76 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.519 ' CE2' ' HG3' ' A' ' 79' ' ' LYS . 53.9 p90 -59.11 -45.94 89.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.519 ' HG3' ' CE2' ' A' ' 78' ' ' TYR . 32.6 mtmt -40.36 -44.5 1.97 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -55.44 114.87 2.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -85.01 -36.95 20.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -144.67 167.61 22.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -141.37 136.02 31.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.946 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 89.7 m -103.33 108.99 20.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 44.4 mt -87.31 109.6 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -99.95 -176.44 3.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 10.9 m120 63.09 45.61 5.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 93.6 mt -118.04 155.89 29.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.99 129.13 47.26 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.578 0.704 . . . . 0.0 110.883 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 150.33 67.97 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.703 2.269 . . . . 0.0 112.336 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.0 t 69.17 52.82 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.546 ' O ' HG13 ' A' ' 115' ' ' VAL . 5.0 m -149.78 155.33 39.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.827 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -93.8 128.86 40.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.471 ' CE1' HG13 ' A' ' 66' ' ' ILE . 49.5 m-85 -126.07 125.19 42.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 93.2 t -93.44 103.55 14.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.127 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.466 ' N ' HD12 ' A' ' 96' ' ' ILE . 4.5 mp -92.29 135.63 26.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.086 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.585 HG22 ' O ' ' A' ' 110' ' ' LEU . 72.0 p -129.22 162.95 26.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.179 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.528 ' HB3' HD22 ' A' ' 34' ' ' LEU . 8.9 tp -150.91 131.19 13.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.41 ' CG ' ' HB3' ' A' ' 61' ' ' ALA . 10.2 ptpp? -137.48 131.05 31.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.06 139.2 38.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.105 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.492 ' C ' ' CD1' ' A' ' 101' ' ' PHE . 3.2 p90 -135.89 164.17 28.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 48.0 p-10 -167.86 179.22 4.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -46.67 -35.29 5.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.482 HG11 ' CA ' ' A' ' 26' ' ' ARG . 39.2 t -69.02 -49.24 64.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.155 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 165.28 -151.47 20.29 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.515 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -117.15 153.08 33.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.893 0.378 . . . . 0.0 110.849 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -99.91 -147.54 21.51 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.468 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.528 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -98.37 127.07 37.36 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.669 0.747 . . . . 0.0 111.121 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 163.55 37.81 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.681 2.254 . . . . 0.0 112.372 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.621 HD21 ' CG2' ' A' ' 30' ' ' VAL . 12.0 mt -109.14 164.97 11.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -125.6 120.19 30.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -129.31 176.82 7.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 72.9 p -140.85 139.19 34.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -161.76 119.87 2.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.112 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.546 HG13 ' O ' ' A' ' 92' ' ' SER . 40.8 t -107.14 111.38 35.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.127 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 38.0 p -45.62 147.86 0.82 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.192 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 117' ' ' ARG . 14.0 mtp-105 -74.7 154.06 87.31 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.597 0.713 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.341 0.145 0 C-N-CA 122.707 2.271 . . . . 0.0 112.358 179.962 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.765 0.316 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -129.56 36.88 4.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.2 p -108.94 -22.08 12.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.501 ' CA ' HG11 ' A' ' 104' ' ' VAL . 15.3 ptp180 -120.48 162.89 18.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.3 m -81.52 150.7 67.39 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.592 0.711 . . . . 0.0 111.145 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.481 ' HA ' HG21 ' A' ' 55' ' ' ILE . 53.6 Cg_endo -69.76 103.35 1.15 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.668 2.245 . . . . 0.0 112.325 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -54.2 164.29 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.668 HG23 ' HD2' ' A' ' 31' ' ' PRO . 5.3 p -38.34 138.78 0.7 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.662 0.744 . . . . 0.0 111.098 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.668 ' HD2' HG23 ' A' ' 30' ' ' VAL . 53.4 Cg_endo -69.79 165.7 30.12 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.662 2.241 . . . . 0.0 112.346 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.5 t -45.66 -50.35 13.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 82.0 p -172.79 -175.48 1.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.8 tp -155.18 116.54 4.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -100.63 150.25 22.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.6 m -135.58 139.96 45.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.558 ' HG3' HD12 ' A' ' 39' ' ' LEU . 10.4 tpp180 -126.28 107.57 24.23 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.605 0.717 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 127.56 14.74 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.711 2.274 . . . . 0.0 112.337 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.667 ' CD1' HG23 ' A' ' 44' ' ' VAL . 4.1 mp -123.35 154.87 38.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.526 HG12 HG23 ' A' ' 41' ' ' THR . 96.5 t -29.63 -75.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.141 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.526 HG23 HG12 ' A' ' 40' ' ' VAL . 12.7 p -116.77 26.68 9.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.14 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.509 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 5.3 p -151.75 -178.14 6.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.509 ' CG1' ' O ' ' A' ' 42' ' ' SER . 38.9 mt -160.72 108.97 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.078 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.667 HG23 ' CD1' ' A' ' 39' ' ' LEU . 3.9 t -75.2 91.75 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.1 t -82.46 100.54 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.147 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.473 ' HA ' ' CB ' ' A' ' 82' ' ' TYR . 1.3 m -104.82 134.9 47.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.55 ' CB ' HD22 ' A' ' 98' ' ' LEU . 48.8 p90 -129.53 -175.31 3.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.0 p -142.15 155.12 65.2 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.574 0.702 . . . . 0.0 111.118 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 161.39 46.1 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.7 2.267 . . . . 0.0 112.362 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 51' ' ' GLU . 54.2 Cg_endo -69.74 126.99 13.98 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.688 2.259 . . . . 0.0 112.37 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 50' ' ' PRO . 1.8 tt0 -35.5 -43.56 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -84.4 117.21 23.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 54' ' ' ASN . 14.1 mm-40 -83.58 -40.32 19.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 53' ' ' GLN . 35.1 m120 -36.83 -40.86 0.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.481 HG21 ' HA ' ' A' ' 28' ' ' PRO . 77.1 mt -66.08 131.92 31.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 94.9 t -77.62 131.71 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.147 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.483 HG11 ' CZ ' ' A' ' 60' ' ' TYR . 93.5 t -125.09 116.23 46.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.086 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.477 ' CZ ' ' OD1' ' A' ' 103' ' ' ASN . 7.2 mmt85 -82.62 -35.56 26.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 177.34 -176.25 47.97 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.483 ' CZ ' HG11 ' A' ' 57' ' ' VAL . 5.4 m-85 -132.54 141.8 48.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.874 0.369 . . . . 0.0 110.92 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -106.45 129.34 54.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.467 HD11 ' CZ3' ' A' ' 47' ' ' TRP . 20.4 mt -104.47 148.28 9.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.136 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -140.24 123.46 2.42 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.496 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.413 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 5.9 p90 -127.53 166.12 18.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.972 0.415 . . . . 0.0 110.9 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 156.4 126.98 0.98 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.565 HG13 ' CE2' ' A' ' 94' ' ' TYR . 20.4 mt -53.59 107.88 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.874 0.369 . . . . 0.0 111.109 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.67 -50.3 2.9 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.505 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 21.0 p -126.79 124.62 24.13 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.726 0.774 . . . . 0.0 110.865 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -9.49 26.23 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.673 2.249 . . . . 0.0 112.342 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 40.5 m-70 -82.91 43.13 0.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 64' ' ' TYR . . . -107.37 -45.74 4.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 21.1 mp0 -140.48 151.04 44.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.7 m -133.86 123.96 25.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 77.9 mt -121.42 107.96 21.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 55.3 mttm -98.83 118.62 35.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.926 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 34.6 m -118.28 176.53 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -68.59 173.35 5.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -76.74 -21.38 55.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.0 mttp -82.79 37.38 0.53 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -120.12 113.09 19.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.979 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -77.71 -39.38 44.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.83 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.473 ' CB ' ' HA ' ' A' ' 46' ' ' SER . 45.3 p90 -155.28 171.21 20.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -136.66 140.57 42.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.927 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 93.4 m -100.78 96.82 7.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.109 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 71.8 mt -77.53 130.9 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.157 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -126.01 -177.05 3.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 74.58 31.91 0.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.546 HD22 ' CE2' ' A' ' 94' ' ' TYR . 52.7 mt -110.62 176.89 4.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.65 139.04 29.27 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.59 0.71 . . . . 0.0 110.911 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 155.95 64.71 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.679 2.253 . . . . 0.0 112.37 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.7 t 67.31 50.48 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.81 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 23.2 t -152.36 153.6 33.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.833 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 7.6 t-160 -99.78 130.76 46.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.565 ' CE2' HG13 ' A' ' 66' ' ' ILE . 50.9 m-85 -123.83 147.65 47.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.96 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 96.1 t -113.66 104.22 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.158 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.447 ' N ' HD12 ' A' ' 96' ' ' ILE . 4.7 mp -93.31 139.06 18.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.624 HG22 ' O ' ' A' ' 110' ' ' LEU . 47.6 p -133.52 154.23 51.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.55 HD22 ' CB ' ' A' ' 47' ' ' TRP . 4.8 tp -143.13 136.05 27.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.946 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -142.73 135.54 28.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -84.57 132.53 34.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.087 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 45.6 p90 -133.48 133.09 41.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -131.67 -178.86 5.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.477 ' OD1' ' CZ ' ' A' ' 58' ' ' ARG . 77.5 m-20 -48.79 -40.57 29.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.501 HG11 ' CA ' ' A' ' 26' ' ' ARG . 35.9 t -60.96 -49.53 84.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 167.7 -158.15 30.84 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.492 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -106.31 157.29 17.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.36 . . . . 0.0 110.863 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -106.77 -145.23 12.31 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.451 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.55 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -104.83 125.34 34.07 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.625 0.726 . . . . 0.0 111.135 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 170.21 17.11 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.649 2.233 . . . . 0.0 112.357 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.624 ' O ' HG22 ' A' ' 97' ' ' THR . 53.9 mt -116.92 166.59 11.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.966 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -124.96 126.48 45.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.967 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -134.1 175.34 9.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 31.9 p -141.92 134.17 27.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -149.74 113.93 5.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.096 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 96.1 t -98.12 107.33 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 47.8 p -44.92 145.57 0.94 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.158 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 32.2 mtt180 -61.32 157.65 43.16 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.594 0.712 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.199 0 C-N-CA 122.676 2.251 . . . . 0.0 112.375 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.1 t0 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.741 0.305 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.667 ' O ' HG21 ' A' ' 104' ' ' VAL . 50.5 tt0 -94.14 -41.46 9.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 24' ' ' GLU . 49.4 p -37.58 -29.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.13 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 24' ' ' GLU . 4.0 ptp180 -103.3 143.12 33.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.829 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.5 m -82.37 147.03 55.53 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.566 0.698 . . . . 0.0 111.141 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 102.22 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.634 2.222 . . . . 0.0 112.336 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -52.15 -177.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.66 HG23 ' HD2' ' A' ' 31' ' ' PRO . 4.8 p -48.54 138.4 11.72 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.63 0.728 . . . . 0.0 111.085 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.66 ' HD2' HG23 ' A' ' 30' ' ' VAL . 53.9 Cg_endo -69.8 173.76 10.53 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.637 2.225 . . . . 0.0 112.367 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.6 p -57.3 -42.73 82.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.9 p -174.21 -176.12 1.1 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 tp -153.67 123.58 6.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.939 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.425 ' CG ' ' N ' ' A' ' 36' ' ' VAL . 0.2 OUTLIER -107.34 155.36 20.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 179.892 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.569 HG12 HG22 ' A' ' 45' ' ' VAL . 2.3 m -151.81 125.03 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.4 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 4.3 mmt180 -109.27 106.53 58.79 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.611 0.72 . . . . 0.0 110.828 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.648 ' HB3' ' HB1' ' A' ' 114' ' ' ALA . 53.2 Cg_endo -69.84 118.52 5.73 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.672 2.248 . . . . 0.0 112.344 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.533 HD13 HG23 ' A' ' 44' ' ' VAL . 6.5 mp -116.57 154.72 29.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.494 ' C ' ' O ' ' A' ' 39' ' ' LEU . 71.1 t -30.26 -73.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.083 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.426 HG23 HG12 ' A' ' 40' ' ' VAL . 10.5 p -116.56 25.19 10.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.126 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.481 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 0.8 OUTLIER -147.97 177.15 9.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.862 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.481 ' CG1' ' O ' ' A' ' 42' ' ' SER . 20.3 mt -160.03 105.02 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.123 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.533 HG23 HD13 ' A' ' 39' ' ' LEU . 2.1 t -73.38 94.36 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.079 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.569 HG22 HG12 ' A' ' 36' ' ' VAL . 74.9 t -87.08 99.95 9.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.437 ' HA ' ' CB ' ' A' ' 82' ' ' TYR . 8.5 t -106.51 137.43 44.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.825 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.609 ' CB ' HD22 ' A' ' 98' ' ' LEU . 49.0 p90 -133.28 -175.65 3.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -144.76 159.17 51.53 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.634 0.73 . . . . 0.0 111.134 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 157.72 59.38 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.68 2.253 . . . . 0.0 112.315 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 136.51 33.16 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.63 2.22 . . . . 0.0 112.366 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -41.83 -44.21 3.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -73.59 108.71 6.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -95.52 38.03 1.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.513 ' C ' ' ND2' ' A' ' 54' ' ' ASN . 0.1 OUTLIER -115.93 -25.25 7.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 8.0 mt -83.54 146.91 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 83.8 t -83.35 126.56 40.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.143 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 56.7 t -114.35 125.05 71.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.101 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -96.97 -21.03 17.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 162.12 -177.26 38.38 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.495 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.442 ' CD1' ' N ' ' A' ' 60' ' ' TYR . 0.6 OUTLIER -133.76 146.28 50.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.917 0.389 . . . . 0.0 110.923 -179.795 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -105.6 132.0 52.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.1 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 14.9 mt -106.67 129.38 60.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -116.51 123.3 5.79 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.5 ' CZ ' ' CB ' ' A' ' 72' ' ' GLN . 10.4 p90 -134.21 150.34 51.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.981 0.419 . . . . 0.0 110.905 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.407 ' HA3' ' HB3' ' A' ' 71' ' ' ALA . . . 166.56 153.68 7.94 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.495 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.672 HD11 ' CE1' ' A' ' 94' ' ' TYR . 17.9 mm -71.77 92.95 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.849 0.357 . . . . 0.0 111.123 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.81 -41.42 2.23 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.503 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.3 m -148.61 141.98 15.82 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.638 0.732 . . . . 0.0 110.894 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.635 ' HG3' HG21 ' A' ' 97' ' ' THR . 53.3 Cg_endo -69.78 0.55 5.5 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.636 2.224 . . . . 0.0 112.34 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.431 ' O ' ' C ' ' A' ' 71' ' ' ALA . 13.0 m170 -72.54 -36.61 68.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.868 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 70' ' ' HIS . . . -34.3 -58.43 0.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.059 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.5 ' CB ' ' CZ ' ' A' ' 64' ' ' TYR . 19.2 mt-30 -134.67 153.64 51.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 89.9 m -141.56 127.33 19.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 69.8 mt -132.14 111.22 17.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.3 pttp -111.37 127.7 55.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.6 m -111.5 -178.95 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -68.92 -173.93 0.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -84.12 -17.18 40.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.1 mmtt -88.52 38.77 0.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.912 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.427 ' O ' ' CZ2' ' A' ' 47' ' ' TRP . 45.7 mm-40 -126.76 111.03 13.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -75.12 -38.84 60.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.452 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 26.5 p90 -153.01 176.62 11.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.927 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -142.06 133.79 27.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.514 HG22 ' HG3' ' A' ' 86' ' ' GLU . 55.2 m -95.67 96.91 9.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.17 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.445 ' CG2' HD11 ' A' ' 88' ' ' LEU . 56.7 mt -79.4 97.63 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.153 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.514 ' HG3' HG22 ' A' ' 84' ' ' THR . 13.4 mt-10 -99.74 170.69 8.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 72.68 44.71 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.445 HD11 ' CG2' ' A' ' 85' ' ' ILE . 56.0 mt -112.69 162.65 15.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -85.37 116.76 66.87 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.576 0.703 . . . . 0.0 110.878 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 156.32 63.63 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.698 2.265 . . . . 0.0 112.337 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.9 t 66.88 54.75 0.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.1 p -166.07 147.79 6.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -83.25 140.59 32.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.672 ' CE1' HD11 ' A' ' 66' ' ' ILE . 12.5 m-85 -131.26 134.04 46.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 88.0 t -98.42 109.6 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.17 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.418 ' N ' HD12 ' A' ' 96' ' ' ILE . 3.5 mp -96.04 138.93 20.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.642 HG22 ' O ' ' A' ' 110' ' ' LEU . 41.3 p -135.89 134.03 38.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.609 HD22 ' CB ' ' A' ' 47' ' ' TRP . 5.5 tp -124.65 141.52 52.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -150.88 140.21 21.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.27 131.94 35.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -134.07 142.97 47.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 36.8 p-10 -128.61 -174.98 3.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -50.39 -27.33 6.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.667 HG21 ' O ' ' A' ' 24' ' ' GLU . 98.1 t -79.77 -50.04 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.096 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 164.62 -166.65 38.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.517 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -107.26 166.06 10.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.865 0.364 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -109.09 -124.88 5.02 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.491 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.493 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -110.26 121.06 42.64 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.604 0.716 . . . . 0.0 111.121 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 171.18 14.98 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.707 2.272 . . . . 0.0 112.352 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.642 ' O ' HG22 ' A' ' 97' ' ' THR . 84.9 mt -110.34 178.13 4.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -136.33 129.23 31.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -139.68 178.25 7.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 60.6 p -140.48 142.29 35.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.648 ' HB1' ' HB3' ' A' ' 38' ' ' PRO . . . -156.84 117.58 3.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 99.0 t -100.14 102.3 13.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 81.9 p -46.66 132.54 10.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.41 154.67 22.15 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.606 0.717 . . . . 0.0 110.859 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--O 1.232 0.207 0 C-N-CA 122.691 2.261 . . . . 0.0 112.34 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 . . . . . 0 C--O 1.23 0.038 0 CA-C-O 120.754 0.311 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.53 ' O ' HG21 ' A' ' 104' ' ' VAL . 1.8 tm-20 -92.94 -32.2 14.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.0 t -42.25 -23.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 24' ' ' GLU . 16.6 ptt180 -108.92 139.59 43.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.2 m -68.48 147.41 98.11 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.588 0.709 . . . . 0.0 111.152 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 98.05 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.707 2.271 . . . . 0.0 112.34 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -48.8 165.78 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.911 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.603 HG23 ' HD2' ' A' ' 31' ' ' PRO . 3.5 p -38.88 136.81 0.93 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.653 0.74 . . . . 0.0 111.127 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.603 ' HD2' HG23 ' A' ' 30' ' ' VAL . 54.4 Cg_endo -69.71 164.18 35.47 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.677 2.251 . . . . 0.0 112.402 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.4 p -45.04 -47.94 11.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 81.2 p -175.32 -177.19 1.0 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.848 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.436 HD22 ' HB3' ' A' ' 98' ' ' LEU . 3.5 tp -150.91 112.91 4.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 38.7 t-80 -98.3 146.05 26.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.409 HG12 HG22 ' A' ' 45' ' ' VAL . 3.3 m -136.95 136.22 47.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.102 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.77 110.29 40.48 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.609 0.719 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.4 ' HB2' ' O ' ' A' ' 115' ' ' VAL . 53.2 Cg_endo -69.78 121.78 8.46 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.688 2.259 . . . . 0.0 112.325 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.517 ' O ' ' C ' ' A' ' 40' ' ' VAL . 2.5 mp -114.38 154.9 27.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.669 HG12 HG23 ' A' ' 41' ' ' THR . 97.7 t -27.49 -69.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.669 HG23 HG12 ' A' ' 40' ' ' VAL . 40.5 p -119.2 0.44 11.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.486 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 4.2 p -120.28 -177.87 3.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.486 ' CG1' ' O ' ' A' ' 42' ' ' SER . 39.3 mt -159.91 105.01 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.127 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.465 HG23 HD13 ' A' ' 39' ' ' LEU . 85.0 t -71.92 113.89 9.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.419 HG13 HD11 ' A' ' 34' ' ' LEU . 96.9 t -107.3 100.84 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.147 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 t -106.72 128.54 54.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.641 ' CZ3' HD11 ' A' ' 62' ' ' ILE . 47.8 p90 -126.15 178.01 6.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 40.0 p -142.15 153.28 63.19 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.599 0.714 . . . . 0.0 111.104 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 160.21 50.56 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.689 2.26 . . . . 0.0 112.35 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 133.36 25.38 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.65 2.233 . . . . 0.0 112.314 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -38.56 -39.47 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.463 ' HB3' HD12 ' A' ' 55' ' ' ILE . 15.8 t-20 -78.54 62.43 3.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -45.52 -29.23 1.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -46.45 -36.45 6.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.463 HD12 ' HB3' ' A' ' 52' ' ' ASN . 35.7 mt -74.28 121.67 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.405 ' CG2' ' HB2' ' A' ' 24' ' ' GLU . 54.7 t -59.88 146.74 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 94.5 t -136.3 112.02 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.151 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.0 mmt85 -77.69 -42.32 34.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 179.35 -177.02 48.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.504 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -127.7 173.23 10.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.895 0.378 . . . . 0.0 110.944 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.633 ' HB2' ' HD3' ' A' ' 75' ' ' LYS . . . -132.28 112.01 11.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.083 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.641 HD11 ' CZ3' ' A' ' 47' ' ' TRP . 30.5 mt -96.55 123.44 48.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -120.86 127.61 7.07 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.474 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.633 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 2.9 p90 -121.15 160.62 23.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.883 0.373 . . . . 0.0 110.989 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 163.78 121.64 0.57 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.469 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 66.6 mt -47.77 122.47 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 0.0 111.154 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.21 -45.8 2.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.462 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.584 ' HB2' ' CE1' ' A' ' 70' ' ' HIS . 23.2 m -138.89 130.55 15.36 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.671 0.748 . . . . 0.0 110.831 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 0.29 5.89 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.692 2.261 . . . . 0.0 112.324 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.584 ' CE1' ' HB2' ' A' ' 68' ' ' SER . 0.0 OUTLIER -81.6 49.09 1.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.633 ' HB3' ' O ' ' A' ' 64' ' ' TYR . . . -115.92 -55.1 2.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.057 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -139.01 166.99 23.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.0 m -141.98 136.38 30.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.12 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.58 HD13 ' CE1' ' A' ' 83' ' ' TYR . 87.6 mt -125.9 114.87 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.088 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.633 ' HD3' ' HB2' ' A' ' 61' ' ' ALA . 32.6 mmtt -101.29 116.69 33.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 31.5 m -118.87 167.88 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -78.28 165.99 23.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.804 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.531 ' CE2' ' HG3' ' A' ' 79' ' ' LYS . 27.7 p90 -57.87 -46.15 85.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.531 ' HG3' ' CE2' ' A' ' 78' ' ' TYR . 22.8 mttm -44.34 -47.14 9.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.855 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -53.25 112.16 0.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.93 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.69 -39.33 27.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.864 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.454 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 53.3 p90 -143.11 175.35 9.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.58 ' CE1' HD13 ' A' ' 74' ' ' ILE . 27.4 t80 -139.32 131.52 28.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 91.5 m -98.38 93.15 6.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.141 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 53.3 mt -71.8 114.91 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -112.72 172.45 6.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 69.98 48.53 0.54 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 16.6 mt -117.96 170.55 8.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -95.56 119.95 64.37 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.592 0.711 . . . . 0.0 110.854 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 152.9 69.65 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.657 2.238 . . . . 0.0 112.351 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.1 t 69.64 47.27 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.7 t -157.26 146.35 19.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.539 ' CE1' HG22 ' A' ' 95' ' ' VAL . 1.7 t60 -79.59 136.12 36.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.828 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.405 ' O ' HD12 ' A' ' 96' ' ' ILE . 19.9 m-85 -130.01 118.1 21.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.539 HG22 ' CE1' ' A' ' 93' ' ' HIS . 44.7 t -87.73 115.23 27.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.161 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.563 ' N ' HD12 ' A' ' 96' ' ' ILE . 3.2 mp -103.59 140.26 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.701 HG22 ' O ' ' A' ' 110' ' ' LEU . 22.1 p -127.59 155.81 43.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.517 HD22 ' CB ' ' A' ' 47' ' ' TRP . 5.6 tp -145.08 129.93 18.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.922 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.1 ptpp? -134.03 130.5 37.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -84.75 121.41 27.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.474 ' CB ' ' HA ' ' A' ' 106' ' ' GLU . 7.1 p90 -123.56 164.73 18.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 39.1 p-10 -152.09 -176.9 5.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -54.08 -32.36 54.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.53 HG21 ' O ' ' A' ' 24' ' ' GLU . 83.9 t -72.53 -49.56 40.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 174.78 -177.43 46.87 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.506 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.474 ' HA ' ' CB ' ' A' ' 101' ' ' PHE . 9.6 mp0 -86.58 166.34 15.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.883 0.373 . . . . 0.0 110.86 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -114.13 -158.08 12.37 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 3.7 mm -89.15 124.31 65.16 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.599 0.714 . . . . 0.0 111.13 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.411 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 53.3 Cg_endo -69.83 167.64 23.94 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.71 2.273 . . . . 0.0 112.308 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.701 ' O ' HG22 ' A' ' 97' ' ' THR . 26.5 mt -118.89 156.46 29.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -115.53 125.09 52.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -137.29 175.32 9.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 72.8 m -142.07 142.25 32.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.815 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -153.01 112.16 3.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.093 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.4 ' O ' ' HB2' ' A' ' 38' ' ' PRO . 65.1 t -97.24 114.37 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.18 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 17.7 p -57.36 143.81 38.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 29.9 mtp180 -71.16 156.94 91.21 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.607 0.717 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.176 0 C-N-CA 122.694 2.263 . . . . 0.0 112.351 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.754 0.312 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -121.56 27.92 7.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.9 t -99.99 -22.74 15.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.173 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.913 ' NH2' HD22 ' A' ' 54' ' ' ASN . 37.7 ptt180 -121.64 157.11 31.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.7 m -83.55 146.69 50.72 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.657 0.741 . . . . 0.0 111.117 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.439 ' HA ' HG21 ' A' ' 55' ' ' ILE . 53.2 Cg_endo -69.83 104.04 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.307 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -49.91 -178.8 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.649 HG23 ' HD2' ' A' ' 31' ' ' PRO . 4.4 p -47.25 138.64 7.99 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.678 0.752 . . . . 0.0 111.102 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.649 ' HD2' HG23 ' A' ' 30' ' ' VAL . 53.7 Cg_endo -69.79 167.95 23.01 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.619 2.212 . . . . 0.0 112.315 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.6 m -48.01 -53.29 16.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.852 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 t -170.2 -177.82 2.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.461 HD22 ' HB3' ' A' ' 98' ' ' LEU . 5.0 tp -153.82 114.79 4.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -106.28 140.08 39.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.829 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.577 HG12 HG13 ' A' ' 45' ' ' VAL . 29.5 m -132.51 134.13 59.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.457 ' O ' HD12 ' A' ' 39' ' ' LEU . 16.8 ttm-85 -116.99 108.71 43.79 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.622 0.725 . . . . 0.0 110.84 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.543 ' HB3' ' HB1' ' A' ' 114' ' ' ALA . 54.0 Cg_endo -69.76 126.45 13.32 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.643 2.229 . . . . 0.0 112.391 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.518 HD13 HG23 ' A' ' 44' ' ' VAL . 3.3 mp -119.98 154.4 34.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.929 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.612 HG12 HG23 ' A' ' 41' ' ' THR . 59.5 t -31.49 -74.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.612 HG23 HG12 ' A' ' 40' ' ' VAL . 47.7 p -115.02 25.77 10.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.424 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 9.5 p -150.0 179.55 7.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.816 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.424 ' CG1' ' O ' ' A' ' 42' ' ' SER . 54.9 mt -158.24 108.68 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.127 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.518 HG23 HD13 ' A' ' 39' ' ' LEU . 89.9 t -81.72 95.32 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.577 HG13 HG12 ' A' ' 36' ' ' VAL . 83.1 t -88.91 100.13 10.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.1 t -104.88 127.84 52.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.824 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.663 ' CB ' HD22 ' A' ' 98' ' ' LEU . 49.3 p90 -123.14 -175.02 3.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.1 p -142.8 157.69 61.04 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.547 0.689 . . . . 0.0 111.154 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 160.1 50.95 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.68 2.253 . . . . 0.0 112.345 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 51' ' ' GLU . 54.1 Cg_endo -69.73 123.99 10.65 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.725 2.284 . . . . 0.0 112.323 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 50' ' ' PRO . 5.9 mt-10 -34.22 -39.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.408 ' CG ' ' OD1' ' A' ' 54' ' ' ASN . 6.4 t-20 -88.42 126.9 35.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.501 ' O ' ' N ' ' A' ' 55' ' ' ILE . 1.3 mp0 -97.12 -35.97 10.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.913 HD22 ' NH2' ' A' ' 26' ' ' ARG . 15.5 p-10 -37.6 -27.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.962 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.501 ' N ' ' O ' ' A' ' 53' ' ' GLN . 92.4 mt -80.11 136.99 22.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.114 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.476 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 76.7 t -81.2 112.7 19.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.155 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.479 HG11 ' CZ ' ' A' ' 60' ' ' TYR . 98.5 t -104.18 129.47 56.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -100.73 -45.45 5.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -171.36 171.54 44.04 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.516 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.479 ' CZ ' HG11 ' A' ' 57' ' ' VAL . 12.8 m-85 -122.73 164.37 18.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.92 0.39 . . . . 0.0 110.927 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -120.68 142.45 49.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.07 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 14.3 mt -121.81 105.03 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -105.44 125.36 8.24 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -126.16 164.44 20.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.945 0.402 . . . . 0.0 110.892 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 152.26 131.86 1.75 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.873 HD11 ' CZ ' ' A' ' 94' ' ' TYR . 5.1 mp -62.49 136.1 26.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.869 0.366 . . . . 0.0 111.156 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 81.04 -44.43 3.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.469 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.7 m -158.14 139.24 9.53 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.69 0.757 . . . . 0.0 110.862 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 0.18 5.99 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.651 2.234 . . . . 0.0 112.383 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -82.3 42.92 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -118.77 -67.61 0.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.425 ' NE2' ' HA ' ' A' ' 72' ' ' GLN . 5.4 mm-40 -131.47 146.24 52.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.5 t -142.61 153.05 43.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 31.2 mt -139.03 117.9 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.169 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 52.5 mttm -99.27 120.31 39.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 28.2 m -125.37 166.04 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -57.66 167.57 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -70.79 -44.83 65.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.4 mttp -40.7 -43.31 1.93 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.893 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -52.32 116.08 2.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.9 tmm_? -82.59 -39.22 22.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.408 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 25.5 p90 -143.46 167.78 21.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -138.67 126.38 22.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 89.6 m -101.65 105.49 16.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.161 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.5 ' HB ' HD11 ' A' ' 88' ' ' LEU . 41.1 mt -81.02 134.82 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.454 ' O ' ' CG ' ' A' ' 87' ' ' ASN . 43.6 mt-10 -117.4 -174.8 2.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.454 ' CG ' ' O ' ' A' ' 86' ' ' GLU . 0.5 OUTLIER 48.52 49.01 18.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.5 HD11 ' HB ' ' A' ' 85' ' ' ILE . 53.1 mt -109.51 179.41 4.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -111.12 122.67 37.22 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.522 0.677 . . . . 0.0 110.884 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -179.53 2.96 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.673 2.249 . . . . 0.0 112.369 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.2 p 42.46 40.56 1.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.8 m -144.33 133.52 22.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.863 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -80.1 123.19 27.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.873 ' CZ ' HD11 ' A' ' 66' ' ' ILE . 22.6 m-85 -114.41 129.54 56.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 59.4 t -98.12 107.66 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.11 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.649 ' N ' HD12 ' A' ' 96' ' ' ILE . 2.9 mp -93.82 140.87 15.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.72 HG22 ' O ' ' A' ' 110' ' ' LEU . 21.2 p -134.51 127.63 31.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.138 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.663 HD22 ' CB ' ' A' ' 47' ' ' TRP . 7.1 tp -118.06 140.94 49.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -146.43 137.16 24.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.35 130.16 34.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.131 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -138.76 141.91 38.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 56' ' ' VAL . 35.2 p-10 -126.54 -175.08 3.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -44.48 -28.32 0.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 10.6 t -77.86 -50.03 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.136 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 160.56 -173.12 37.07 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.5 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -96.32 161.99 13.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.898 0.38 . . . . 0.0 110.879 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -108.62 -123.93 4.92 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.454 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.5 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -107.81 121.43 44.06 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.636 0.731 . . . . 0.0 111.143 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 170.78 15.78 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.707 2.272 . . . . 0.0 112.341 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.72 ' O ' HG22 ' A' ' 97' ' ' THR . 23.4 mt -112.19 171.66 7.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -128.0 118.92 24.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -127.22 -179.22 4.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.851 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 52.7 p -142.0 150.0 40.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.817 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.543 ' HB1' ' HB3' ' A' ' 38' ' ' PRO . . . -161.4 111.01 1.61 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.115 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 92.9 t -100.46 107.58 21.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.117 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 37.3 p -64.02 128.76 37.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -61.54 154.96 62.24 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.624 0.726 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.208 0 C-N-CA 122.657 2.238 . . . . 0.0 112.39 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.441 ' O ' HG23 ' A' ' 56' ' ' VAL . 11.7 t0 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.728 0.299 . . . . 0.0 110.821 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -123.45 34.2 5.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.1 t -108.44 -11.63 15.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.3 ptt180 -138.56 155.6 48.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.827 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.441 HG12 ' N ' ' A' ' 105' ' ' GLY . 13.6 m -79.38 144.51 62.04 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.654 0.74 . . . . 0.0 111.16 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.448 ' HD3' ' CG ' ' A' ' 102' ' ' ASN . 53.9 Cg_endo -69.72 100.69 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.717 2.278 . . . . 0.0 112.338 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -50.73 174.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.713 ' CG2' HD21 ' A' ' 110' ' ' LEU . 3.6 p -40.99 137.44 1.48 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.643 0.735 . . . . 0.0 111.099 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.606 ' HD2' HG23 ' A' ' 30' ' ' VAL . 53.7 Cg_endo -69.81 172.4 12.75 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.626 2.217 . . . . 0.0 112.335 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.9 t -49.35 -47.84 47.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 74.9 p -174.59 -176.04 1.01 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.875 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.606 HD23 ' OE1' ' A' ' 112' ' ' GLU . 4.5 tp -154.56 114.29 3.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -106.04 147.58 28.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.463 HG12 HG13 ' A' ' 45' ' ' VAL . 26.2 m -137.01 139.13 44.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.578 ' O ' HD12 ' A' ' 39' ' ' LEU . 23.5 mtt-85 -116.4 107.85 46.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.611 0.72 . . . . 0.0 110.859 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.526 ' HB3' ' HB1' ' A' ' 114' ' ' ALA . 53.6 Cg_endo -69.73 123.43 10.1 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.739 2.293 . . . . 0.0 112.313 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.578 HD12 ' O ' ' A' ' 37' ' ' ARG . 6.1 mp -118.88 154.54 32.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.751 HG12 HG23 ' A' ' 41' ' ' THR . 99.9 t -29.81 -73.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.751 HG23 HG12 ' A' ' 40' ' ' VAL . 76.1 p -117.28 25.34 10.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.166 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.451 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 2.9 t -148.5 179.64 7.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.814 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.454 HG13 ' CD1' ' A' ' 88' ' ' LEU . 53.7 mt -158.82 107.01 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.103 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 75.8 t -78.0 92.52 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.463 HG13 HG12 ' A' ' 36' ' ' VAL . 62.5 t -82.91 104.06 11.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.13 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 73.8 p -108.12 124.36 50.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.554 ' CZ3' HD11 ' A' ' 62' ' ' ILE . 48.6 p90 -121.2 175.17 6.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.0 p -133.13 156.89 79.5 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.565 0.697 . . . . 0.0 111.122 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 160.28 50.28 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.663 2.242 . . . . 0.0 112.35 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 51' ' ' GLU . 54.0 Cg_endo -69.71 124.56 11.23 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.67 2.247 . . . . 0.0 112.382 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 50' ' ' PRO . 9.2 mt-10 -36.14 -37.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 31.8 t-20 -89.48 94.36 9.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.923 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 54' ' ' ASN . 18.4 mm100 -69.07 -40.4 78.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 53' ' ' GLN . 31.2 m120 -36.37 -40.16 0.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 73.8 mt -69.5 139.05 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.133 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 23' ' ' ASP . 73.4 t -74.24 136.46 25.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 65.4 t -134.83 115.48 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.114 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -83.59 -46.72 12.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.811 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -171.38 -168.07 32.49 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.438 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.413 ' CB ' HD11 ' A' ' 98' ' ' LEU . 4.6 m-85 -138.62 144.63 39.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.877 0.37 . . . . 0.0 110.96 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -102.88 117.67 35.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.112 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.554 HD11 ' CZ3' ' A' ' 47' ' ' TRP . 54.0 mt -94.48 126.94 46.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -118.16 119.56 4.43 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.519 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.462 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 40.4 p90 -128.88 150.81 50.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.964 0.411 . . . . 0.0 110.903 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 163.65 134.97 1.73 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.478 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.545 HG13 ' CE2' ' A' ' 94' ' ' TYR . 55.5 mt -57.48 120.14 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.867 0.365 . . . . 0.0 111.137 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.01 -53.44 3.95 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.493 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 44.3 m -140.19 139.19 20.45 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.654 0.74 . . . . 0.0 110.847 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.66 0.69 5.21 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.679 2.253 . . . . 0.0 112.392 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 3.6 m80 -83.57 42.45 0.84 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 64' ' ' TYR . . . -108.59 -52.15 2.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.089 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -149.88 148.13 28.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 66.0 m -130.96 132.98 45.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.177 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.463 HD13 ' CZ ' ' A' ' 83' ' ' TYR . 78.5 mt -120.16 110.07 27.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -90.34 125.97 35.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 18.6 m -136.72 154.99 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -60.78 164.31 4.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.446 ' O ' ' C ' ' A' ' 79' ' ' LYS . 35.1 p90 -58.71 -49.9 75.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.957 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 78' ' ' TYR . 34.9 mmtm -34.1 -49.14 0.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 53.4 mm-40 -49.42 116.99 1.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.14 -37.1 17.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.444 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 25.1 p90 -146.93 169.57 18.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.463 ' CZ ' HD13 ' A' ' 74' ' ' ILE . 31.4 t80 -140.95 129.89 23.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.908 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 85.9 m -94.0 98.98 11.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.119 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 49.3 mt -77.61 100.32 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.127 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -95.62 175.96 6.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.936 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 67.75 48.38 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.454 ' CD1' HG13 ' A' ' 43' ' ' ILE . 19.6 mt -117.81 165.85 13.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -91.11 124.13 62.54 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.639 0.733 . . . . 0.0 110.864 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 144.29 53.69 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.69 2.26 . . . . 0.0 112.335 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t 69.51 44.12 0.94 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.7 m -142.01 142.12 32.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.824 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -79.72 132.81 36.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.84 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.545 ' CE2' HG13 ' A' ' 66' ' ' ILE . 34.4 m-85 -130.49 131.9 45.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 95.4 t -98.86 105.0 16.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.092 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 5.1 mp -91.54 139.2 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.604 HG22 ' O ' ' A' ' 110' ' ' LEU . 53.8 p -131.42 158.34 41.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.564 ' HB3' HD22 ' A' ' 34' ' ' LEU . 5.0 tp -150.79 132.63 15.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -135.99 131.51 35.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -84.76 124.51 31.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 43.2 p90 -134.09 146.67 50.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.448 ' CG ' ' HD3' ' A' ' 28' ' ' PRO . 52.5 p-10 -134.69 -174.74 3.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -48.46 -24.41 1.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 23.2 t -80.11 -50.11 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.441 ' N ' HG12 ' A' ' 27' ' ' VAL . . . 167.35 -169.13 40.89 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.477 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -108.06 145.07 34.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.891 0.377 . . . . 0.0 110.884 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -91.12 -134.76 6.18 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.498 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.55 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -105.67 128.27 26.83 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.645 0.736 . . . . 0.0 111.098 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.412 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 54.6 Cg_endo -69.72 173.25 11.2 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.68 2.254 . . . . 0.0 112.349 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.713 HD21 ' CG2' ' A' ' 30' ' ' VAL . 73.0 mt -117.63 159.66 22.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.451 ' C ' ' OE1' ' A' ' 112' ' ' GLU . 6.2 m-85 -117.07 121.94 42.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.606 ' OE1' HD23 ' A' ' 34' ' ' LEU . 0.5 OUTLIER -125.67 172.2 9.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 54.9 p -142.07 134.91 28.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.885 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.526 ' HB1' ' HB3' ' A' ' 38' ' ' PRO . . . -161.38 121.58 2.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.083 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 95.4 t -103.58 105.45 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 27.6 p -45.42 136.66 5.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.179 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -67.02 154.22 92.95 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.602 0.715 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.177 0 C-N-CA 122.725 2.283 . . . . 0.0 112.301 -179.951 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.766 0.317 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -125.03 37.44 4.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.2 t -117.59 -10.66 10.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.145 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -127.5 151.97 48.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.1 m -86.79 146.41 41.04 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.633 0.73 . . . . 0.0 111.132 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 107.36 1.83 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.692 2.261 . . . . 0.0 112.372 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 30' ' ' VAL . 1.8 pp20? -62.7 168.07 4.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.836 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.824 ' CG2' HD21 ' A' ' 110' ' ' LEU . 2.9 p -34.86 136.15 0.4 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.583 0.706 . . . . 0.0 111.133 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.713 ' HG2' HD11 ' A' ' 110' ' ' LEU . 54.0 Cg_endo -69.7 -179.2 2.72 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.681 2.254 . . . . 0.0 112.384 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.7 p -61.56 -43.63 98.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.843 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.7 m -174.98 -178.42 1.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.41 ' CD2' ' HB2' ' A' ' 112' ' ' GLU . 2.7 tp -147.44 116.23 6.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.932 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -105.75 137.01 44.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.494 ' CG2' ' HG3' ' A' ' 112' ' ' GLU . 3.6 m -134.95 129.82 51.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -111.04 110.52 56.65 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.586 0.708 . . . . 0.0 110.827 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 122.31 8.98 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.646 2.231 . . . . 0.0 112.347 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.458 ' O ' ' C ' ' A' ' 40' ' ' VAL . 3.3 mp -115.88 154.16 30.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.568 HG12 HG23 ' A' ' 41' ' ' THR . 66.1 t -33.03 -75.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.114 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.568 HG23 HG12 ' A' ' 40' ' ' VAL . 34.8 p -113.08 25.04 11.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.133 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.5 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 12.9 p -150.9 -178.39 6.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.5 ' CG1' ' O ' ' A' ' 42' ' ' SER . 21.9 mt -160.58 106.8 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.145 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.456 HG23 HD13 ' A' ' 39' ' ' LEU . 97.0 t -76.27 100.4 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.416 HG13 HG12 ' A' ' 36' ' ' VAL . 45.0 t -92.18 100.37 11.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.138 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -106.17 124.31 49.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.597 ' CB ' HD22 ' A' ' 98' ' ' LEU . 47.8 p90 -120.77 -178.54 3.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.884 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -143.77 153.7 58.14 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.545 0.688 . . . . 0.0 111.153 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 158.18 57.75 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.669 2.246 . . . . 0.0 112.324 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 144.11 53.07 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.708 2.272 . . . . 0.0 112.324 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -41.52 -40.7 1.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -75.26 100.02 4.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -88.32 25.33 1.67 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -110.16 -22.08 11.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 73.1 mt -76.55 125.94 36.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.9 t -66.19 112.65 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 45.9 t -112.43 117.98 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.11 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -83.5 -24.44 31.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 165.26 -171.11 40.49 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.512 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -132.12 157.93 42.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.904 0.383 . . . . 0.0 110.887 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.4 107.43 13.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.122 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.457 HD11 ' CZ3' ' A' ' 47' ' ' TRP . 12.3 mt -89.36 155.84 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.443 ' N ' HG22 ' A' ' 62' ' ' ILE . . . -145.94 139.85 8.48 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.521 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.443 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 55.1 p90 -139.48 154.89 47.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.968 0.414 . . . . 0.0 110.906 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 164.98 160.26 12.2 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.586 HD11 ' CZ ' ' A' ' 94' ' ' TYR . 43.6 mm -81.41 102.48 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.819 0.342 . . . . 0.0 111.136 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.55 -41.13 2.21 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.511 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.2 t -148.12 137.99 12.52 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.653 0.74 . . . . 0.0 110.862 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.584 ' HG3' HG21 ' A' ' 97' ' ' THR . 53.6 Cg_endo -69.79 -15.4 36.95 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.728 2.285 . . . . 0.0 112.33 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -55.75 -19.93 12.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 64' ' ' TYR . . . -48.07 -64.7 0.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.099 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -132.92 153.46 51.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 63.8 m -139.79 129.82 24.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 77.8 mt -121.37 124.5 72.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.162 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.4 mttp -112.15 129.35 56.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 24.5 m -132.91 172.89 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.091 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -65.22 175.94 1.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.522 ' CE1' ' HG3' ' A' ' 79' ' ' LYS . 39.5 p90 -77.32 -39.85 46.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.522 ' HG3' ' CE1' ' A' ' 78' ' ' TYR . 52.2 mttt -44.45 -37.12 3.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.945 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -68.12 125.02 25.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.918 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.91 -11.7 16.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.455 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 4.1 p90 -155.87 158.86 38.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.943 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -138.87 128.79 25.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.942 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 80.1 m -94.29 100.89 12.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.158 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 44.3 mt -79.31 130.92 35.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -124.28 171.95 9.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 69.81 51.68 0.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 13.4 mt -120.36 175.43 5.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.938 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -100.85 122.65 48.27 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.657 0.741 . . . . 0.0 110.849 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 155.24 66.39 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.646 2.231 . . . . 0.0 112.344 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 27.1 t 60.5 51.76 5.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.814 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.4 m -153.78 144.64 22.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -81.4 131.06 35.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.586 ' CZ ' HD11 ' A' ' 66' ' ' ILE . 26.3 m-85 -126.25 130.93 51.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 83.7 t -94.16 111.37 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.136 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.445 HG21 HG11 ' A' ' 36' ' ' VAL . 3.0 mp -99.33 142.47 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.173 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.584 HG21 ' HG3' ' A' ' 69' ' ' PRO . 72.9 p -138.25 152.87 48.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.597 HD22 ' CB ' ' A' ' 47' ' ' TRP . 5.5 tp -143.18 137.22 28.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -140.53 140.07 35.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -85.51 136.58 33.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.066 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.487 ' C ' ' CD1' ' A' ' 101' ' ' PHE . 4.3 p90 -134.16 167.34 20.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 29.2 p-10 -170.73 177.47 3.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -49.94 -26.89 4.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 61.6 t -75.86 -43.83 39.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.081 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 160.92 -155.58 26.78 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.472 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -114.09 159.01 20.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.906 0.384 . . . . 0.0 110.874 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -106.77 -146.01 12.97 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.495 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -103.39 123.98 39.72 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.641 0.734 . . . . 0.0 111.102 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 163.7 37.31 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.671 2.248 . . . . 0.0 112.328 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.824 HD21 ' CG2' ' A' ' 30' ' ' VAL . 27.0 mt -111.64 163.65 13.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -118.58 108.15 14.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.494 ' HG3' ' CG2' ' A' ' 36' ' ' VAL . 4.9 tp10 -114.97 175.36 5.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 79.2 p -138.97 148.74 43.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.848 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -164.61 111.16 1.02 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.055 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 42.3 t -93.63 106.6 18.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 26.0 p -53.09 136.56 35.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.197 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 74.4 mtt-85 -66.57 148.97 98.49 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.591 0.71 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.189 0 C-N-CA 122.733 2.289 . . . . 0.0 112.345 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 t70 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.777 0.322 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.403 ' O ' ' CG2' ' A' ' 104' ' ' VAL . 9.1 tt0 -121.86 30.84 6.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.2 t -107.03 -18.99 13.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.178 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.0 ptt180 -125.98 147.69 49.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.505 HG12 ' N ' ' A' ' 105' ' ' GLY . 11.3 m -76.61 142.75 70.85 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.663 0.744 . . . . 0.0 111.104 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 102.91 1.07 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.673 2.249 . . . . 0.0 112.343 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 30' ' ' VAL . 2.4 pt-20 -58.95 176.12 0.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.852 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.508 HG23 ' HD2' ' A' ' 31' ' ' PRO . 2.6 p -34.98 134.47 0.43 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.66 0.743 . . . . 0.0 111.106 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.593 ' HG2' HD11 ' A' ' 110' ' ' LEU . 54.2 Cg_endo -69.74 179.32 3.77 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.702 2.268 . . . . 0.0 112.379 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.3 m -52.82 -48.34 67.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.832 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 74.6 p -174.46 -175.06 0.91 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.58 ' HB3' HD13 ' A' ' 110' ' ' LEU . 3.1 tp -150.87 124.92 9.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.935 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -112.95 139.29 48.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.7 m -135.47 141.4 42.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.163 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.1 ttm180 -122.13 109.95 33.14 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.578 0.704 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.619 ' HB3' ' HB1' ' A' ' 114' ' ' ALA . 53.6 Cg_endo -69.78 114.81 3.83 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.67 2.246 . . . . 0.0 112.365 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.485 ' O ' ' C ' ' A' ' 40' ' ' VAL . 6.1 mp -109.02 154.52 22.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.768 HG12 HG23 ' A' ' 41' ' ' THR . 85.8 t -30.57 -75.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.768 HG23 HG12 ' A' ' 40' ' ' VAL . 73.9 p -114.6 25.53 10.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.487 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 0.5 OUTLIER -151.75 -178.04 6.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.851 -179.863 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.487 ' CG1' ' O ' ' A' ' 42' ' ' SER . 36.9 mt -160.02 110.02 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.148 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.402 HG23 HD13 ' A' ' 39' ' ' LEU . 98.2 t -75.71 97.58 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.8 t -87.69 100.17 9.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.151 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.3 t -107.82 125.69 51.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.623 ' CB ' HD22 ' A' ' 98' ' ' LEU . 47.0 p90 -124.24 -177.17 3.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.8 p -144.67 149.95 45.24 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.614 0.721 . . . . 0.0 111.114 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 161.66 45.07 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.683 2.255 . . . . 0.0 112.363 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.498 ' O ' ' N ' ' A' ' 52' ' ' ASN . 53.9 Cg_endo -69.69 121.45 8.16 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.661 2.241 . . . . 0.0 112.343 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 50' ' ' PRO . 4.3 mt-10 -35.07 -32.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.498 ' N ' ' O ' ' A' ' 50' ' ' PRO . 36.0 t-20 -86.56 88.98 7.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 54' ' ' ASN . 22.4 mm-40 -64.78 -38.64 91.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 53' ' ' GLN . 1.2 m-20 -35.09 -39.42 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 13.9 mt -71.7 126.76 32.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 71.6 t -66.65 142.17 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.105 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.59 HG11 ' CZ ' ' A' ' 60' ' ' TYR . 85.9 t -141.27 119.88 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -89.44 -35.05 16.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.512 ' C ' ' CD1' ' A' ' 60' ' ' TYR . . . -179.03 -162.44 28.38 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.451 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.59 ' CZ ' HG11 ' A' ' 57' ' ' VAL . 2.5 m-85 -146.84 167.31 24.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.893 0.377 . . . . 0.0 110.907 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -121.35 132.85 55.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.091 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 26.3 mt -114.13 120.96 65.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.127 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -115.93 129.86 8.74 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.41 ' CE1' HD11 ' A' ' 74' ' ' ILE . 24.6 p90 -132.08 150.53 52.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.936 0.398 . . . . 0.0 110.891 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 172.3 139.4 2.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.463 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.4 HG13 ' CE1' ' A' ' 94' ' ' TYR . 60.5 mt -56.97 100.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.88 0.372 . . . . 0.0 111.13 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.24 -49.49 4.22 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.496 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 64.0 p -113.74 115.17 46.55 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.671 0.748 . . . . 0.0 110.858 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -4.95 15.01 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.692 2.261 . . . . 0.0 112.364 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 66.3 m-70 -86.7 39.17 0.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -103.45 -51.13 3.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.073 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.5 mp0 -136.78 157.93 45.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.7 m -137.02 133.95 36.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.147 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.41 HD11 ' CE1' ' A' ' 64' ' ' TYR . 33.2 mt -120.56 120.84 63.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.14 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 46.8 mttt -103.99 138.5 40.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 34.4 m -145.18 -175.01 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.136 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.436 ' CB ' ' OE1' ' A' ' 80' ' ' GLN . 7.4 t0 -95.75 168.09 10.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -60.92 -36.7 79.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.947 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 20.1 mmtp -52.08 -43.19 63.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.436 ' OE1' ' CB ' ' A' ' 77' ' ' ASP . 2.7 mp0 -57.1 121.06 9.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.12 -35.46 11.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.427 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 6.4 p90 -142.64 167.18 22.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -138.07 133.07 33.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.95 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 85.5 m -101.69 95.55 6.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 21.6 mt -76.7 111.95 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -104.65 174.33 5.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 67.01 48.93 1.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 84.7 mt -115.95 164.36 14.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.19 122.41 66.39 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.611 0.719 . . . . 0.0 110.885 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 166.24 28.27 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.667 2.245 . . . . 0.0 112.367 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.7 m 53.92 48.99 20.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.839 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 41.3 m -153.36 150.23 28.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -90.82 131.53 36.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.826 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.4 ' CE1' HG13 ' A' ' 66' ' ' ILE . 31.4 m-85 -123.57 130.06 52.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.952 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 61.0 t -91.91 111.55 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.124 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.1 mp -98.5 137.88 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.09 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.505 HG22 ' O ' ' A' ' 110' ' ' LEU . 80.6 p -135.01 145.92 48.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.131 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.623 HD22 ' CB ' ' A' ' 47' ' ' TRP . 4.5 tp -139.27 137.01 35.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.967 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -139.34 129.74 25.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.16 120.99 24.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.106 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.555 ' C ' ' CD1' ' A' ' 101' ' ' PHE . 1.2 p90 -124.74 146.59 49.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.836 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 48.7 p-10 -141.16 -176.02 4.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -44.96 -41.66 7.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.403 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 98.2 t -69.33 -50.05 55.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.505 ' N ' HG12 ' A' ' 27' ' ' VAL . . . 162.06 -165.75 36.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.491 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.537 ' HB3' ' CB ' ' A' ' 101' ' ' PHE . 1.6 pm0 -118.54 158.51 25.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.871 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -101.11 -127.94 6.24 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.558 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.509 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -105.59 130.04 23.69 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.657 0.741 . . . . 0.0 111.126 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 175.56 7.95 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.691 2.261 . . . . 0.0 112.317 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.593 HD11 ' HG2' ' A' ' 31' ' ' PRO . 9.9 mt -109.19 174.4 5.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -136.26 118.25 15.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -129.86 170.73 13.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 17.8 p -134.54 137.73 44.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.619 ' HB1' ' HB3' ' A' ' 38' ' ' PRO . . . -150.79 123.53 8.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 96.0 t -106.86 102.52 14.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.115 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 17.7 p -48.76 139.18 10.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -66.84 154.14 92.61 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.627 0.727 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.176 0 C-N-CA 122.711 2.274 . . . . 0.0 112.329 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.77 0.319 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -132.39 35.7 3.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.2 t -106.51 -20.46 13.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.16 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.677 ' CA ' HG11 ' A' ' 104' ' ' VAL . 5.1 ptp180 -131.34 153.75 49.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.605 HG12 ' N ' ' A' ' 105' ' ' GLY . 24.2 m -71.94 147.97 91.65 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.658 0.742 . . . . 0.0 111.09 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 116.47 4.58 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.658 2.238 . . . . 0.0 112.321 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 30' ' ' VAL . 12.2 pt-20 -65.99 164.44 15.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.659 HG23 ' HD2' ' A' ' 31' ' ' PRO . 4.9 p -34.74 138.76 0.33 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.64 0.733 . . . . 0.0 111.116 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.659 ' HD2' HG23 ' A' ' 30' ' ' VAL . 53.5 Cg_endo -69.78 171.4 14.55 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.1 p -52.58 -50.16 63.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -172.28 175.73 3.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.524 HD23 ' OE1' ' A' ' 112' ' ' GLU . 4.1 tp -147.43 114.46 6.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -104.13 147.44 27.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.5 m -136.04 135.72 50.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.8 107.84 43.7 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.629 0.728 . . . . 0.0 110.857 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.663 ' HB3' ' HB1' ' A' ' 114' ' ' ALA . 53.6 Cg_endo -69.81 121.96 8.63 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.681 2.254 . . . . 0.0 112.326 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.485 ' O ' ' C ' ' A' ' 40' ' ' VAL . 2.9 mp -116.2 154.22 30.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.938 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.596 HG12 HG23 ' A' ' 41' ' ' THR . 68.0 t -30.6 -74.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.596 HG23 HG12 ' A' ' 40' ' ' VAL . 36.0 p -116.0 26.15 10.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.495 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 3.7 p -151.36 -178.03 6.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.495 ' CG1' ' O ' ' A' ' 42' ' ' SER . 21.3 mt -160.5 118.32 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.114 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 74.2 t -85.98 103.41 12.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.14 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 67.7 t -97.55 101.33 12.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.8 t -102.15 139.62 37.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.534 ' CZ3' ' HA ' ' A' ' 82' ' ' TYR . 41.9 p90 -142.88 159.29 42.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 39.7 p -126.83 151.17 73.31 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.564 0.697 . . . . 0.0 111.117 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 163.81 36.83 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.661 2.241 . . . . 0.0 112.381 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 51' ' ' GLU . 53.5 Cg_endo -69.81 130.9 20.08 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.691 2.261 . . . . 0.0 112.357 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 50' ' ' PRO . 9.8 mt-10 -37.44 -47.15 0.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -74.72 85.15 2.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 54' ' ' ASN . 10.9 mm-40 -58.94 -33.71 70.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 53' ' ' GLN . 32.5 m-80 -36.48 -41.35 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 43.6 mt -67.45 119.07 12.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.135 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.2 t -67.17 107.69 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.46 HG11 ' CE2' ' A' ' 60' ' ' TYR . 61.2 t -105.09 108.35 24.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.143 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.412 ' HB3' ' NH1' ' A' ' 58' ' ' ARG . 4.4 mmm180 -71.44 -53.73 13.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.448 ' C ' ' CE2' ' A' ' 101' ' ' PHE . . . -166.31 -176.98 37.99 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.476 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.46 ' CE2' HG11 ' A' ' 57' ' ' VAL . 3.3 m-85 -129.48 163.52 25.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.884 0.373 . . . . 0.0 110.892 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.67 126.72 53.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.104 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.46 HD11 ' CH2' ' A' ' 47' ' ' TRP . 18.8 mt -108.01 122.11 61.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -115.24 119.68 4.7 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.504 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.43 ' CG ' HD13 ' A' ' 85' ' ' ILE . 17.6 p90 -126.58 148.89 49.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.892 0.377 . . . . 0.0 110.905 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 171.95 155.54 11.12 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.644 HD11 ' CZ ' ' A' ' 94' ' ' TYR . 30.4 mm -58.1 112.64 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.12 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.48 23.79 0.34 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.51 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.415 ' HB3' ' NE2' ' A' ' 70' ' ' HIS . 73.2 m -167.41 109.34 0.61 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.651 0.739 . . . . 0.0 110.837 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 68' ' ' SER . 53.8 Cg_endo -69.81 -15.02 36.72 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.68 2.253 . . . . 0.0 112.317 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.415 ' NE2' ' HB3' ' A' ' 68' ' ' SER . 21.0 p80 -80.26 42.81 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -112.64 -39.32 4.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -149.04 159.27 44.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.962 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 34.3 m -140.79 139.66 34.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.097 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.441 HD13 ' CE1' ' A' ' 83' ' ' TYR . 80.6 mt -132.08 107.96 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.165 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -93.61 111.74 23.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.432 HG13 HG22 ' A' ' 74' ' ' ILE . 28.2 m -117.7 170.73 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.158 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -79.38 162.08 25.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.824 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.508 ' CZ ' ' HE3' ' A' ' 79' ' ' LYS . 35.1 p90 -52.22 -51.2 59.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.508 ' HE3' ' CZ ' ' A' ' 78' ' ' TYR . 32.4 mttt -35.41 -55.42 0.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.916 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 44.1 mm-40 -44.85 107.29 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.63 -38.65 33.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.534 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 16.3 p90 -143.92 170.16 16.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.441 ' CE1' HD13 ' A' ' 74' ' ' ILE . 27.2 t80 -140.22 131.04 25.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.937 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 58.4 m -103.61 106.36 16.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.43 HD13 ' CG ' ' A' ' 64' ' ' TYR . 59.6 mt -79.97 123.01 36.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.433 ' C ' ' CG ' ' A' ' 87' ' ' ASN . 29.3 mt-10 -109.89 -174.93 2.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.433 ' CG ' ' C ' ' A' ' 86' ' ' GLU . 0.3 OUTLIER 47.88 48.04 18.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 22.0 mt -105.19 172.4 6.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -100.97 115.07 65.75 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.585 0.707 . . . . 0.0 110.856 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 162.35 42.44 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.692 2.261 . . . . 0.0 112.352 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.5 m 59.94 48.13 9.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.5 m -156.59 151.13 25.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.889 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.417 ' CD2' ' N ' ' A' ' 94' ' ' TYR . 4.0 t-160 -86.02 130.57 34.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.824 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.644 ' CZ ' HD11 ' A' ' 66' ' ' ILE . 16.0 m-85 -123.98 133.4 53.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 87.6 t -101.86 128.64 54.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.156 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.555 ' N ' HD12 ' A' ' 96' ' ' ILE . 4.1 mp -112.98 142.38 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.16 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.516 HG22 ' O ' ' A' ' 110' ' ' LEU . 80.7 p -140.64 135.3 31.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.499 HD22 ' CB ' ' A' ' 47' ' ' TRP . 7.3 tp -127.45 136.32 51.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -139.16 135.44 34.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -81.11 132.3 35.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.104 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.453 ' CD1' ' C ' ' A' ' 101' ' ' PHE . 6.6 p90 -133.16 151.48 51.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -157.23 -176.06 5.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -48.76 -43.88 38.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.677 HG11 ' CA ' ' A' ' 26' ' ' ARG . 62.6 t -60.9 -48.1 90.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.605 ' N ' HG12 ' A' ' 27' ' ' VAL . . . 163.02 -158.19 30.44 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -105.08 161.46 14.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.905 0.384 . . . . 0.0 110.855 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -107.74 -143.88 11.03 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.522 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.541 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -103.91 121.84 46.51 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.584 0.707 . . . . 0.0 111.139 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 160.41 49.81 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.693 2.262 . . . . 0.0 112.356 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.624 HD11 ' HG2' ' A' ' 31' ' ' PRO . 9.2 mt -109.74 165.25 11.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.452 ' C ' ' OE1' ' A' ' 112' ' ' GLU . 7.7 m-85 -121.85 123.42 41.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.524 ' OE1' HD23 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -132.5 167.42 20.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.935 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.1 m -142.26 143.57 32.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.663 ' HB1' ' HB3' ' A' ' 38' ' ' PRO . . . -155.63 120.27 4.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.096 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 61.2 t -97.86 106.55 18.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.0 p -49.67 140.36 11.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -71.79 155.02 92.67 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.602 0.715 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.184 0 C-N-CA 122.707 2.272 . . . . 0.0 112.33 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 t0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.738 0.304 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.434 ' CG ' ' OD1' ' A' ' 103' ' ' ASN . 64.8 tt0 -127.42 37.54 4.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 59.4 p -111.87 -16.09 13.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.7 ptt-85 -133.2 157.41 45.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.569 HG12 ' CA ' ' A' ' 105' ' ' GLY . 21.1 m -70.93 152.88 94.96 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.673 0.749 . . . . 0.0 111.087 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.618 ' HA ' HG21 ' A' ' 55' ' ' ILE . 54.3 Cg_endo -69.68 105.54 1.49 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.631 2.221 . . . . 0.0 112.402 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 30' ' ' VAL . 9.1 mt-10 -52.75 153.56 3.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.886 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.67 HG23 ' HD2' ' A' ' 31' ' ' PRO . 5.7 p -33.45 138.62 0.26 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.643 0.735 . . . . 0.0 111.128 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.67 ' HD2' HG23 ' A' ' 30' ' ' VAL . 53.5 Cg_endo -69.76 171.42 14.49 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.251 . . . . 0.0 112.307 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.2 m -53.24 -47.52 68.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.7 t -174.56 -175.38 0.93 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.846 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.414 HD22 ' HB3' ' A' ' 98' ' ' LEU . 2.3 tp -149.77 114.07 5.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.429 ' ND1' ' C ' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -99.0 148.13 24.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.861 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 5.5 m -141.33 145.43 24.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.7 ttt85 -129.01 107.94 18.09 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.591 0.71 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 123.52 10.2 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.664 2.243 . . . . 0.0 112.374 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.47 ' O ' ' C ' ' A' ' 40' ' ' VAL . 4.6 mp -116.14 154.33 30.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.581 HG12 HG23 ' A' ' 41' ' ' THR . 99.0 t -31.6 -70.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.581 HG23 HG12 ' A' ' 40' ' ' VAL . 35.8 p -118.8 22.21 12.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.493 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 0.8 OUTLIER -146.82 -177.98 5.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.814 -179.845 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.493 ' CG1' ' O ' ' A' ' 42' ' ' SER . 23.3 mt -160.16 106.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.106 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.454 HG23 HD13 ' A' ' 39' ' ' LEU . 59.7 t -79.36 97.69 2.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.112 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.7 t -86.02 103.28 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.115 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -108.55 122.47 47.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.694 ' CB ' HD22 ' A' ' 98' ' ' LEU . 43.2 p90 -122.63 -175.71 3.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.943 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.95 154.86 68.9 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.572 0.701 . . . . 0.0 111.102 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 156.72 62.61 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.658 2.239 . . . . 0.0 112.326 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.475 ' O ' ' N ' ' A' ' 52' ' ' ASN . 53.1 Cg_endo -69.87 123.28 9.91 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.675 2.25 . . . . 0.0 112.336 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 50' ' ' PRO . 21.2 mt-10 -36.75 -30.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' A' ' 50' ' ' PRO . 18.0 t-20 -88.12 101.03 13.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -80.62 -34.05 35.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -38.97 -35.69 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.618 HG21 ' HA ' ' A' ' 28' ' ' PRO . 31.1 mt -75.98 146.23 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.164 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.7 t -92.4 141.22 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.201 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.571 HG12 ' H ' ' A' ' 59' ' ' GLY . 3.5 t -137.58 132.14 44.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -107.36 22.13 16.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.571 ' H ' HG12 ' A' ' 57' ' ' VAL . . . 126.5 179.61 15.84 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.493 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.427 ' CE1' ' HA ' ' A' ' 78' ' ' TYR . 2.8 m-85 -129.65 162.77 27.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.896 0.379 . . . . 0.0 110.9 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -115.07 110.61 19.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.11 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 34.0 mt -91.45 132.08 36.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.141 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -130.52 119.94 2.88 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.529 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.461 ' CZ ' ' HB2' ' A' ' 72' ' ' GLN . 6.0 p90 -120.69 159.27 25.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.926 0.393 . . . . 0.0 110.938 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 159.85 129.16 1.02 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.447 HD11 ' CZ ' ' A' ' 94' ' ' TYR . 17.7 mt -51.92 110.82 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 111.105 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.15 -53.84 4.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.475 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.7 m -122.57 121.11 27.67 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.661 0.743 . . . . 0.0 110.865 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -3.3 11.76 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.682 2.255 . . . . 0.0 112.335 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 -77.64 47.54 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -114.93 -54.71 2.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.067 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.461 ' HB2' ' CZ ' ' A' ' 64' ' ' TYR . 3.3 mp0 -139.67 154.11 47.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.1 m -136.05 128.37 30.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 86.3 mt -118.36 114.54 45.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.084 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.468 ' HD2' ' CE2' ' A' ' 101' ' ' PHE . 26.6 mmtm -99.01 119.34 37.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.8 m -129.28 147.97 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.1 p30 -48.14 150.92 1.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.473 ' CD1' ' N ' ' A' ' 79' ' ' LYS . 32.0 p90 -52.93 -44.36 66.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.958 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.473 ' N ' ' CD1' ' A' ' 78' ' ' TYR . 30.1 mtpt -41.03 -47.57 3.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.923 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -48.68 121.29 4.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -90.47 -36.63 14.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.519 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 55.9 p90 -145.07 167.04 23.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.951 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -140.43 144.36 36.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.973 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 78.8 m -106.53 106.89 17.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.145 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 35.2 mt -89.16 111.6 23.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -107.89 173.98 6.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 24.3 m-20 71.22 43.95 0.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 30.9 mt -112.24 174.01 6.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -98.24 120.97 58.44 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.591 0.71 . . . . 0.0 110.859 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 153.59 68.34 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.66 2.24 . . . . 0.0 112.338 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.4 t 65.71 48.48 1.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.845 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.3 m -156.81 139.5 15.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -81.46 132.56 35.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.841 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.56 ' O ' HD12 ' A' ' 96' ' ' ILE . 41.1 m-85 -125.84 122.96 37.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 59.7 t -83.45 110.44 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.111 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.56 HD12 ' O ' ' A' ' 94' ' ' TYR . 4.5 mp -98.8 141.47 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.143 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.481 HG22 ' O ' ' A' ' 110' ' ' LEU . 32.4 p -133.46 151.25 51.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.121 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.694 HD22 ' CB ' ' A' ' 47' ' ' TRP . 5.3 tp -142.98 136.95 28.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -150.37 135.48 17.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -81.71 147.84 29.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.076 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.468 ' CE2' ' HD2' ' A' ' 75' ' ' LYS . 16.2 p90 -142.76 151.67 41.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.412 ' CG ' ' HD3' ' A' ' 28' ' ' PRO . 47.6 p-10 -147.34 -176.77 5.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.434 ' OD1' ' CG ' ' A' ' 24' ' ' GLU . 8.4 p-10 -45.97 -38.5 7.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 74.0 t -71.7 -48.19 53.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.119 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.569 ' CA ' HG12 ' A' ' 27' ' ' VAL . . . 159.21 -160.94 31.69 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -112.53 160.83 17.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.902 0.382 . . . . 0.0 110.897 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -103.71 -136.14 8.85 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.441 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 1.3 mm -98.44 126.64 38.72 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.644 0.735 . . . . 0.0 111.139 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -176.29 1.43 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.707 2.271 . . . . 0.0 112.38 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.58 HD21 ' CG2' ' A' ' 30' ' ' VAL . 80.8 mt -131.22 150.26 52.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -108.86 134.41 51.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -140.52 178.26 7.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 78.6 p -141.46 137.76 32.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -149.59 119.12 6.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 99.8 t -104.43 103.66 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 16.6 p -52.13 139.98 22.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.155 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -65.85 155.3 86.94 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.588 0.709 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.202 0 C-N-CA 122.672 2.248 . . . . 0.0 112.386 179.946 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.79 0.328 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.402 ' HB2' HG21 ' A' ' 56' ' ' VAL . 25.0 tt0 -117.79 29.03 8.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.4 p -104.48 -10.09 17.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.082 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -124.65 170.49 10.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.847 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.6 m -99.52 145.98 31.01 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.622 0.725 . . . . 0.0 111.161 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 102.18 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 30' ' ' VAL . 1.7 pp20? -56.99 169.02 0.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.675 HG23 ' HD2' ' A' ' 31' ' ' PRO . 4.3 p -34.06 138.77 0.3 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.57 0.7 . . . . 0.0 111.191 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.675 ' HD2' HG23 ' A' ' 30' ' ' VAL . 53.1 Cg_endo -69.76 173.24 11.26 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.695 2.263 . . . . 0.0 112.322 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.2 m -53.65 -45.01 70.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 m -174.67 -177.92 1.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.823 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.6 tp -153.21 116.23 4.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.964 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -102.82 148.48 25.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.808 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.3 m -139.96 139.21 37.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.403 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 55.3 ttt180 -125.48 109.69 26.14 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.59 0.71 . . . . 0.0 110.872 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 37' ' ' ARG . 54.2 Cg_endo -69.65 129.23 17.36 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.69 2.26 . . . . 0.0 112.372 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.483 ' O ' ' C ' ' A' ' 40' ' ' VAL . 4.4 mp -120.43 154.21 35.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.534 HG12 HG23 ' A' ' 41' ' ' THR . 58.0 t -30.63 -69.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.534 HG23 HG12 ' A' ' 40' ' ' VAL . 30.3 p -120.9 22.6 11.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.165 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.419 ' C ' ' HB2' ' A' ' 39' ' ' LEU . 6.4 p -145.69 -179.35 6.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.829 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.512 HG13 HD12 ' A' ' 88' ' ' LEU . 46.8 mt -157.12 106.7 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.134 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.466 HG23 HD13 ' A' ' 39' ' ' LEU . 87.8 t -78.92 97.69 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.4 t -90.58 100.84 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.0 t -106.42 126.38 52.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.486 ' CB ' HD22 ' A' ' 98' ' ' LEU . 47.2 p90 -124.68 -174.99 3.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.961 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.78 158.59 56.07 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.587 0.708 . . . . 0.0 111.126 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 166.55 27.16 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.705 2.27 . . . . 0.0 112.343 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.422 ' O ' ' N ' ' A' ' 52' ' ' ASN . 54.6 Cg_endo -69.72 134.35 27.84 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.636 2.224 . . . . 0.0 112.373 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -38.33 -31.02 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 50' ' ' PRO . 9.7 t-20 -95.81 162.27 13.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.893 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.506 ' O ' ' N ' ' A' ' 55' ' ' ILE . 17.5 mm100 -125.24 -42.67 1.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 53' ' ' GLN . 21.3 p-10 -36.75 -29.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.506 ' N ' ' O ' ' A' ' 53' ' ' GLN . 59.3 mt -77.79 137.48 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.402 HG21 ' HB2' ' A' ' 24' ' ' GLU . 81.7 t -78.21 130.13 36.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.116 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.0 t -124.4 125.83 70.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -96.84 -39.23 9.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 179.66 -160.72 26.12 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.468 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.432 ' CE2' ' HA ' ' A' ' 78' ' ' TYR . 1.2 m-85 -146.36 152.46 39.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.862 0.363 . . . . 0.0 110.934 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.491 ' HB3' ' HG2' ' A' ' 99' ' ' LYS . . . -105.23 124.94 50.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.4 HD11 ' CH2' ' A' ' 47' ' ' TRP . 22.3 mt -106.77 116.52 50.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -114.13 129.41 8.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.508 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 48.7 p90 -136.31 164.04 29.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.925 0.393 . . . . 0.0 110.955 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 150.17 161.93 10.2 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.521 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.428 HD11 ' CZ ' ' A' ' 94' ' ' TYR . 46.5 mm -73.23 114.23 12.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.829 0.347 . . . . 0.0 111.152 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.56 -55.41 3.1 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.539 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 72.8 m -137.12 144.59 46.68 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.651 0.739 . . . . 0.0 110.88 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 70' ' ' HIS . 53.5 Cg_endo -69.72 -32.07 19.46 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.674 2.25 . . . . 0.0 112.333 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.422 ' C ' ' O ' ' A' ' 69' ' ' PRO . 52.2 m-70 -36.19 -35.6 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 70' ' ' HIS . . . -36.37 -60.39 0.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -135.13 151.72 50.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 87.2 m -142.87 135.55 27.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.125 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 45.3 mt -122.12 136.64 58.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.168 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.482 ' HD2' ' CZ ' ' A' ' 101' ' ' PHE . 17.7 mmtp -119.3 125.29 48.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.7 m -137.78 167.01 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.091 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -67.67 174.97 3.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.481 ' CE1' ' HD2' ' A' ' 79' ' ' LYS . 16.0 p90 -71.02 -35.93 72.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.973 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.481 ' HD2' ' CE1' ' A' ' 78' ' ' TYR . 0.2 OUTLIER -44.31 -49.84 9.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.892 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -51.69 115.66 1.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.87 -29.45 18.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 14.5 p90 -149.71 162.82 39.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -137.2 132.15 33.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 92.1 m -98.15 102.46 14.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.162 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 45.0 mt -83.05 111.99 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -111.08 176.79 4.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.2 m120 68.46 46.7 1.0 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.512 HD12 HG13 ' A' ' 43' ' ' ILE . 92.4 mt -115.04 177.17 4.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -103.31 122.02 46.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.581 0.705 . . . . 0.0 110.853 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 148.56 64.89 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.7 2.267 . . . . 0.0 112.332 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.9 t 74.47 42.88 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 68.6 m -148.3 156.53 42.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -99.84 124.35 45.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.473 ' O ' HD12 ' A' ' 96' ' ' ILE . 69.5 m-85 -116.71 125.74 52.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 84.6 t -86.74 107.47 16.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.473 HD12 ' O ' ' A' ' 94' ' ' TYR . 4.8 mp -95.31 136.37 26.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.602 HG22 ' O ' ' A' ' 110' ' ' LEU . 41.5 p -128.36 160.51 31.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.163 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.486 HD22 ' CB ' ' A' ' 47' ' ' TRP . 10.1 tp -149.69 132.15 15.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.491 ' HG2' ' HB3' ' A' ' 61' ' ' ALA . 9.6 ptpp? -141.84 132.88 26.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.88 128.31 36.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.078 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.482 ' CZ ' ' HD2' ' A' ' 75' ' ' LYS . 25.7 p90 -136.32 143.8 44.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 52.5 p-10 -130.77 -175.25 3.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -43.98 -34.24 1.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 26.2 t -71.15 -46.37 66.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 158.64 -167.84 34.74 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.08 161.05 14.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.879 0.371 . . . . 0.0 110.918 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -107.38 -130.94 6.51 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.496 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -106.72 123.98 36.93 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.619 0.723 . . . . 0.0 111.146 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 167.9 23.1 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.684 2.256 . . . . 0.0 112.361 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.602 ' O ' HG22 ' A' ' 97' ' ' THR . 19.9 mt -109.64 179.81 4.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -141.37 126.57 18.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -135.69 -177.62 4.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 44.4 p -141.94 138.92 32.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -151.13 111.48 4.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.109 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 96.2 t -102.21 101.7 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 38.5 p -51.2 130.35 26.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 89.1 mtt-85 -56.14 153.39 18.6 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.64 0.733 . . . . 0.0 110.823 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.192 0 C-N-CA 122.652 2.235 . . . . 0.0 112.366 179.965 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.7 t0 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.799 0.333 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.509 ' HB2' HG21 ' A' ' 56' ' ' VAL . 16.6 tt0 -125.29 31.3 5.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 57.5 p -104.91 -15.73 15.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.147 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.676 ' HA ' HG11 ' A' ' 104' ' ' VAL . 0.0 OUTLIER -131.25 157.23 43.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.488 HG12 ' N ' ' A' ' 105' ' ' GLY . 20.1 m -70.93 148.45 94.59 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.65 0.738 . . . . 0.0 111.161 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.447 ' HG2' ' C ' ' A' ' 100' ' ' ALA . 53.3 Cg_endo -69.76 99.56 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.711 2.274 . . . . 0.0 112.355 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.547 ' OE2' HD13 ' A' ' 55' ' ' ILE . 0.4 OUTLIER -51.28 161.69 0.41 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.893 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.689 HG23 ' HD2' ' A' ' 31' ' ' PRO . 4.9 p -33.94 139.0 0.28 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.607 0.718 . . . . 0.0 111.142 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.689 ' HD2' HG23 ' A' ' 30' ' ' VAL . 53.6 Cg_endo -69.76 178.36 4.65 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.663 2.242 . . . . 0.0 112.353 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.0 t -58.43 -44.44 89.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.818 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 58.9 p -175.3 177.37 1.87 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.636 ' HB3' HD13 ' A' ' 110' ' ' LEU . 1.6 tp -141.98 128.96 20.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.664 ' CG ' ' HG ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -117.86 144.83 45.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.863 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.468 HG11 HG21 ' A' ' 96' ' ' ILE . 16.1 m -143.87 135.66 22.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.084 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -117.6 109.84 41.3 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.6 0.714 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 124.77 11.44 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.726 2.284 . . . . 0.0 112.355 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.474 ' O ' ' C ' ' A' ' 40' ' ' VAL . 4.4 mp -118.76 154.41 32.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.474 ' C ' ' O ' ' A' ' 39' ' ' LEU . 18.9 t -31.45 -71.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.6 p -117.73 24.44 11.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.43 ' C ' HG13 ' A' ' 43' ' ' ILE . 22.9 p -148.19 178.68 8.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.43 HG13 ' C ' ' A' ' 42' ' ' SER . 65.1 mt -156.96 105.03 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.418 HG23 HD13 ' A' ' 39' ' ' LEU . 95.5 t -76.89 100.01 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.103 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.3 t -89.84 109.61 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.129 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.664 ' HG ' ' CG ' ' A' ' 35' ' ' HIS . 2.7 p -113.14 117.31 31.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.585 ' CB ' HD22 ' A' ' 98' ' ' LEU . 47.1 p90 -117.81 172.87 7.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 40.3 p -133.29 153.47 80.63 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.581 0.705 . . . . 0.0 111.116 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 163.21 39.14 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 51' ' ' GLU . 54.0 Cg_endo -69.76 123.7 10.36 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.668 2.245 . . . . 0.0 112.357 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -34.54 -36.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.481 ' HB3' HD12 ' A' ' 55' ' ' ILE . 28.2 t-20 -91.0 84.41 5.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.924 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -60.63 -36.21 78.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -38.63 -32.64 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.547 HD13 ' OE2' ' A' ' 29' ' ' GLU . 21.2 mt -75.94 131.3 35.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.509 HG21 ' HB2' ' A' ' 24' ' ' GLU . 93.6 t -67.19 135.98 27.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.183 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.8 t -134.15 102.66 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.416 ' HB3' ' NH1' ' A' ' 58' ' ' ARG . 4.3 mmm180 -69.48 -35.55 75.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 176.58 -171.79 44.75 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.462 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.469 ' HB3' HD11 ' A' ' 98' ' ' LEU . 12.9 m-85 -131.27 156.7 44.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.896 0.379 . . . . 0.0 110.945 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.402 ' HB3' ' CG ' ' A' ' 99' ' ' LYS . . . -119.08 118.6 31.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.062 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.552 HD11 ' CZ3' ' A' ' 47' ' ' TRP . 68.7 mt -98.9 146.97 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.132 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -136.35 138.46 9.88 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.466 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -144.94 167.34 22.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.902 0.382 . . . . 0.0 110.918 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 155.78 162.27 11.23 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.5 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.855 HD11 ' CZ ' ' A' ' 94' ' ' TYR . 34.1 mm -79.75 98.75 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.901 0.382 . . . . 0.0 111.132 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.4 -40.51 2.4 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.442 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.4 m -147.13 141.35 15.8 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.682 0.754 . . . . 0.0 110.848 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.482 ' O ' ' N ' ' A' ' 71' ' ' ALA . 53.3 Cg_endo -69.77 -40.05 5.77 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.68 2.253 . . . . 0.0 112.353 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.419 ' C ' ' O ' ' A' ' 69' ' ' PRO . 46.6 m80 -36.85 -29.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 69' ' ' PRO . . . -42.74 -60.66 1.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.067 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -131.78 153.55 50.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 36.6 m -142.92 134.36 26.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.105 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 69.8 mt -122.89 131.36 73.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.8 mttm -117.87 112.98 21.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 34.3 m -117.49 173.66 4.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.084 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -68.15 150.12 48.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 49.3 p90 -54.8 -48.82 72.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 59.7 mttt -37.96 -43.88 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.947 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -54.28 117.26 3.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -85.29 -32.85 22.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.472 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 7.3 p90 -147.01 167.99 22.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -139.81 144.05 37.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 90.4 m -110.64 104.15 12.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.146 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.514 ' CG2' HD11 ' A' ' 88' ' ' LEU . 33.4 mt -87.33 114.2 25.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.105 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -106.85 -179.17 3.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.879 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 12.3 m120 60.81 50.51 5.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.514 HD11 ' CG2' ' A' ' 85' ' ' ILE . 33.6 mt -123.36 156.06 36.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -79.26 121.23 82.77 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.553 0.692 . . . . 0.0 110.879 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 179.14 3.9 Favored 'Trans proline' 0 C--N 1.34 0.114 0 C-N-CA 122.677 2.251 . . . . 0.0 112.326 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.5 p 42.24 51.37 4.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.847 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.3 m -151.51 141.37 21.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -81.03 122.84 27.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.855 ' CZ ' HD11 ' A' ' 66' ' ' ILE . 21.4 m-85 -117.22 135.06 54.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.944 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 98.4 t -98.34 106.62 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.468 HG21 HG11 ' A' ' 36' ' ' VAL . 3.2 mp -95.12 138.46 20.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.631 HG22 ' O ' ' A' ' 110' ' ' LEU . 66.4 p -135.37 157.7 46.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.089 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.585 HD22 ' CB ' ' A' ' 47' ' ' TRP . 9.3 tp -144.83 132.94 21.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.402 ' CG ' ' HB3' ' A' ' 61' ' ' ALA . 14.9 ptpt -135.69 133.75 38.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.447 ' C ' ' HG2' ' A' ' 28' ' ' PRO . . . -85.71 128.97 34.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.091 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -130.95 154.46 48.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.435 ' CG ' ' HD3' ' A' ' 28' ' ' PRO . 26.8 p-10 -152.01 -175.03 5.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -49.42 -38.55 29.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.676 HG11 ' HA ' ' A' ' 26' ' ' ARG . 39.0 t -61.99 -49.78 82.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.488 ' N ' HG12 ' A' ' 27' ' ' VAL . . . 170.68 -133.03 2.65 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.448 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -129.15 155.66 45.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.887 0.375 . . . . 0.0 110.891 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -102.79 -150.82 22.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.465 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.513 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -101.88 126.2 34.62 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.629 0.728 . . . . 0.0 111.12 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.41 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 54.3 Cg_endo -69.72 166.18 28.43 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.337 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.65 HD11 ' HG2' ' A' ' 31' ' ' PRO . 10.1 mt -108.96 179.12 4.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -140.25 114.52 9.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -129.4 175.53 8.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.6 p -133.0 140.17 47.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -150.04 111.48 4.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.085 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 57.8 t -98.46 106.8 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.131 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 58.2 p -49.82 125.46 11.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.137 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -44.63 153.42 0.47 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.575 0.703 . . . . 0.0 110.848 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.209 0 C-N-CA 122.703 2.268 . . . . 0.0 112.316 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.767 0.318 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.449 ' CD ' ' O ' ' A' ' 24' ' ' GLU . 5.5 tm-20 -128.15 33.85 4.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.4 p -99.57 -12.26 20.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.148 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.62 ' HA ' HG11 ' A' ' 104' ' ' VAL . 8.5 ptm180 -141.69 153.86 44.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.567 HG12 ' N ' ' A' ' 105' ' ' GLY . 33.1 m -71.09 151.8 94.78 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.624 0.726 . . . . 0.0 111.108 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.637 ' HA ' HG21 ' A' ' 55' ' ' ILE . 53.6 Cg_endo -69.76 109.05 2.21 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.7 2.266 . . . . 0.0 112.316 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 30' ' ' VAL . 9.5 mt-10 -56.56 158.65 4.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.656 HG23 ' HD2' ' A' ' 31' ' ' PRO . 4.2 p -34.69 138.15 0.35 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.665 0.745 . . . . 0.0 111.095 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.656 ' HD2' HG23 ' A' ' 30' ' ' VAL . 54.3 Cg_endo -69.77 166.89 26.09 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.725 2.283 . . . . 0.0 112.339 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.5 p -48.31 -48.63 35.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.84 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 83.4 p -173.82 -176.02 1.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.6 tp -152.88 112.48 3.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -96.75 147.73 23.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.509 HG11 ' HB ' ' A' ' 96' ' ' ILE . 4.0 m -137.4 131.81 44.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.402 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 52.5 ttt180 -117.85 110.11 40.54 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.586 0.707 . . . . 0.0 110.854 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 37' ' ' ARG . 53.5 Cg_endo -69.82 128.08 15.47 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.32 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.613 ' O ' HG22 ' A' ' 116' ' ' THR . 2.7 mp -120.67 154.47 35.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.595 HG12 HG23 ' A' ' 41' ' ' THR . 60.6 t -29.65 -71.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.595 HG23 HG12 ' A' ' 40' ' ' VAL . 40.2 p -119.71 24.94 10.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.125 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.446 ' C ' HG13 ' A' ' 43' ' ' ILE . 2.6 m -149.33 -178.76 6.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.446 HG13 ' C ' ' A' ' 42' ' ' SER . 60.5 mt -157.73 105.85 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.519 HG23 HD13 ' A' ' 39' ' ' LEU . 93.5 t -74.47 96.03 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.9 t -86.24 100.11 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.7 t -105.45 127.18 52.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.83 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.463 ' CZ3' HD11 ' A' ' 62' ' ' ILE . 44.1 p90 -128.28 -174.93 3.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -142.4 159.92 56.23 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.592 0.711 . . . . 0.0 111.145 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 161.35 46.26 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.402 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 51' ' ' GLU . 53.3 Cg_endo -69.78 129.09 16.97 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.64 2.227 . . . . 0.0 112.34 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 50' ' ' PRO . 2.0 tt0 -34.77 -40.45 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -91.86 106.43 18.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.957 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -77.55 -32.36 53.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -38.66 -43.09 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.637 HG21 ' HA ' ' A' ' 28' ' ' PRO . 56.4 mt -68.38 124.35 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 90.1 t -65.91 138.62 22.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.064 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.458 HG11 ' CZ ' ' A' ' 60' ' ' TYR . 96.7 t -130.03 107.82 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.089 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.495 ' NE ' ' OD1' ' A' ' 103' ' ' ASN . 18.6 mmt180 -74.55 -32.72 62.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 179.17 -169.7 41.07 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.493 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.458 ' CZ ' HG11 ' A' ' 57' ' ' VAL . 15.9 m-85 -135.68 152.09 50.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.844 0.355 . . . . 0.0 110.939 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -117.95 123.72 46.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.119 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.463 HD11 ' CZ3' ' A' ' 47' ' ' TRP . 42.9 mt -108.16 141.2 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.11 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -135.35 121.54 2.58 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -116.0 170.93 8.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.951 0.405 . . . . 0.0 110.913 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 148.74 125.34 1.44 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.533 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.566 HG13 ' CE2' ' A' ' 94' ' ' TYR . 27.7 mt -47.91 118.03 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.857 0.36 . . . . 0.0 111.167 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.78 -58.66 2.59 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.46 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.3 m -116.2 119.47 36.57 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.666 0.745 . . . . 0.0 110.852 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 1.5 4.37 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.676 2.25 . . . . 0.0 112.325 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -81.87 44.4 0.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.834 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -107.75 -54.53 2.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.104 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -145.23 147.14 32.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.6 m -120.06 135.8 54.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 24.8 mt -129.25 108.5 16.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.143 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.9 mtmt -99.97 112.84 25.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.8 m -108.36 158.51 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.164 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -51.96 179.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 37.5 p90 -83.18 -22.43 33.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.935 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.0 mmtt -82.51 39.21 0.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.404 ' HA ' ' NE2' ' A' ' 80' ' ' GLN . 6.8 mm100 -126.07 122.29 35.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -91.43 -33.67 15.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.413 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 6.1 p90 -148.52 169.29 20.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -141.3 128.62 21.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 48.1 m -90.91 102.65 15.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.139 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 62.7 mt -85.61 105.69 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -103.25 174.44 5.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 74.53 45.0 0.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 56.0 mt -121.18 157.05 31.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -87.78 129.96 48.62 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.647 0.737 . . . . 0.0 110.841 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.413 ' HA ' ' OG1' ' A' ' 116' ' ' THR . 53.6 Cg_endo -69.74 145.62 57.8 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.719 2.279 . . . . 0.0 112.332 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.451 ' N ' ' OG1' ' A' ' 116' ' ' THR . 6.8 t 74.98 54.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.8 p -159.29 129.16 5.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -78.47 126.67 31.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.566 ' CE2' HG13 ' A' ' 66' ' ' ILE . 26.9 m-85 -117.19 138.03 51.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 99.8 t -95.58 101.87 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.14 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.509 ' HB ' HG11 ' A' ' 36' ' ' VAL . 4.5 mp -90.23 138.56 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.685 HG22 ' O ' ' A' ' 110' ' ' LEU . 35.7 p -132.81 154.19 50.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.459 HD22 ' CB ' ' A' ' 47' ' ' TRP . 4.6 tp -145.57 131.21 18.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.3 ptpt -134.91 133.35 39.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 107' ' ' GLY . . . -84.25 130.5 34.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.063 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -133.38 165.61 24.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 36.5 p-10 -165.19 -179.87 5.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.495 ' OD1' ' NE ' ' A' ' 58' ' ' ARG . 30.1 m120 -46.18 -34.07 4.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.62 HG11 ' HA ' ' A' ' 26' ' ' ARG . 30.1 t -65.95 -47.46 85.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.567 ' N ' HG12 ' A' ' 27' ' ' VAL . . . 171.69 -129.99 1.86 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.513 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.407 ' O ' HG21 ' A' ' 27' ' ' VAL . 20.4 mt-10 -131.5 167.53 19.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.88 0.371 . . . . 0.0 110.894 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 100' ' ' ALA . . . -115.94 -172.37 16.76 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.5 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 4.9 mm -84.64 125.55 71.03 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.649 0.738 . . . . 0.0 111.139 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.413 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 53.5 Cg_endo -69.75 161.29 46.52 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.694 2.263 . . . . 0.0 112.333 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.685 ' O ' HG22 ' A' ' 97' ' ' THR . 45.8 mt -112.49 158.89 19.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.929 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -118.71 127.3 53.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.914 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -137.47 178.48 7.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.937 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 66.2 p -140.6 138.47 34.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -163.79 115.42 1.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.086 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -109.77 119.9 59.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.158 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.613 HG22 ' O ' ' A' ' 39' ' ' LEU . 12.7 p -41.46 158.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.165 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 39.5 mtt-85 -88.35 159.18 47.93 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.621 0.724 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--N 1.342 0.191 0 C-N-CA 122.704 2.269 . . . . 0.0 112.36 179.992 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 CA--C 1.526 0.044 0 CA-C-O 120.769 0.318 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.454 ' O ' ' CG2' ' A' ' 104' ' ' VAL . 24.1 tt0 -112.83 23.58 13.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.4 p -99.16 -5.53 29.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.4 ptt180 -138.78 149.92 45.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.483 HG21 ' O ' ' A' ' 106' ' ' GLU . 28.2 m -73.09 152.25 90.57 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.606 0.717 . . . . 0.0 111.157 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.611 ' HA ' HG21 ' A' ' 55' ' ' ILE . 53.3 Cg_endo -69.79 119.68 6.59 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.631 2.221 . . . . 0.0 112.328 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 30' ' ' VAL . 9.6 mt-10 -70.45 165.53 22.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.458 ' CG2' HD21 ' A' ' 110' ' ' LEU . 4.4 p -34.58 132.75 0.42 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.625 0.726 . . . . 0.0 111.101 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.585 ' HG2' HD11 ' A' ' 110' ' ' LEU . 53.8 Cg_endo -69.8 170.98 15.34 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.4 t -49.14 -49.76 40.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.7 t -174.87 -177.07 1.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.876 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.434 HD22 ' HB3' ' A' ' 98' ' ' LEU . 2.7 tp -149.3 113.63 5.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.94 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -97.72 148.15 23.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.8 m -141.36 144.18 26.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.112 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.598 ' HG3' HD12 ' A' ' 39' ' ' LEU . 10.3 tpp180 -129.59 107.92 17.25 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.666 0.746 . . . . 0.0 110.85 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 37' ' ' ARG . 53.6 Cg_endo -69.74 127.67 14.94 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.694 2.263 . . . . 0.0 112.342 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.657 ' CD1' HG23 ' A' ' 44' ' ' VAL . 3.5 mp -122.18 154.55 37.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.472 ' C ' ' O ' ' A' ' 39' ' ' LEU . 11.3 t -31.58 -69.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.6 p -119.72 22.56 11.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.104 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.499 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 14.1 p -145.85 -179.94 7.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.499 ' CG1' ' O ' ' A' ' 42' ' ' SER . 23.5 mt -160.57 105.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.087 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.657 HG23 ' CD1' ' A' ' 39' ' ' LEU . 2.3 t -76.83 97.58 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 60.6 t -90.53 102.59 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.081 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.7 t -108.18 128.32 54.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.789 ' CZ3' HD11 ' A' ' 62' ' ' ILE . 46.1 p90 -126.2 -179.82 4.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.6 p -137.86 151.08 69.68 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.58 0.705 . . . . 0.0 111.093 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 157.74 59.26 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.659 2.239 . . . . 0.0 112.324 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.471 ' O ' ' N ' ' A' ' 52' ' ' ASN . 53.4 Cg_endo -69.78 118.06 5.46 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.683 2.256 . . . . 0.0 112.371 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 50' ' ' PRO . 34.0 mm-40 -38.08 -28.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.914 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 50' ' ' PRO . 11.9 t-20 -84.68 91.69 7.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.942 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -70.37 -31.54 68.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -42.27 -39.57 2.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.611 HG21 ' HA ' ' A' ' 28' ' ' PRO . 33.1 mt -77.14 117.78 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 35.8 t -66.88 131.84 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.124 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.8 t -123.68 136.78 59.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -100.44 -29.53 12.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.421 ' HA2' ' C ' ' A' ' 77' ' ' ASP . . . 174.14 -178.62 45.92 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.474 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.573 ' CE2' ' HA ' ' A' ' 78' ' ' TYR . 23.5 m-85 -127.92 164.57 21.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.856 0.36 . . . . 0.0 110.971 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.477 ' HB1' HG23 ' A' ' 73' ' ' THR . . . -127.45 128.13 45.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.093 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.789 HD11 ' CZ3' ' A' ' 47' ' ' TRP . 15.9 mt -110.59 112.44 40.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.149 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -102.11 128.12 9.45 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.451 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.511 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 9.3 p90 -132.7 151.13 52.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.963 0.411 . . . . 0.0 110.923 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 165.31 137.13 2.13 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.482 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.7 mt -62.09 105.65 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.942 0.401 . . . . 0.0 111.09 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.99 -48.29 0.96 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.5 m -148.48 142.09 15.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.683 0.754 . . . . 0.0 110.869 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 71' ' ' ALA . 52.9 Cg_endo -69.86 -35.81 11.67 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.703 2.269 . . . . 0.0 112.317 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 71' ' ' ALA . 49.7 m-70 -41.76 -24.65 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 64' ' ' TYR . . . -35.88 -57.79 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -146.4 167.69 22.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.477 HG23 ' HB1' ' A' ' 61' ' ' ALA . 100.0 m -135.48 127.26 29.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.17 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 94.3 mt -111.77 107.93 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.104 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.546 ' HE3' ' CZ ' ' A' ' 101' ' ' PHE . 6.2 mtpp -110.48 137.86 47.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.653 HG23 ' H ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -132.5 -77.24 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.896 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.653 ' H ' HG23 ' A' ' 76' ' ' VAL . 3.8 m-20 -175.4 -175.35 0.8 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.573 ' HA ' ' CE2' ' A' ' 60' ' ' TYR . 45.0 p90 -84.31 -23.09 30.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.937 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -71.07 -44.48 65.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.886 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -50.62 125.15 12.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -97.03 -35.43 10.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -144.86 160.44 41.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -139.22 132.64 30.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 88.0 m -92.11 110.98 22.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.174 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 39.9 mt -89.44 106.58 17.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.402 ' C ' ' ND2' ' A' ' 87' ' ' ASN . 41.8 mt-10 -103.04 171.64 7.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.402 ' ND2' ' C ' ' A' ' 86' ' ' GLU . 5.6 m-80 74.96 41.81 0.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 14.0 mt -119.15 158.79 25.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -90.8 136.26 27.98 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.562 0.696 . . . . 0.0 110.889 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 168.7 20.87 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.656 2.237 . . . . 0.0 112.312 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.7 m 46.31 53.23 9.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.5 m -148.11 133.69 18.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -83.59 130.26 34.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.833 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -124.64 142.29 51.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 57.2 t -102.02 111.68 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.15 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 3.8 mp -100.2 131.44 47.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.808 HG22 ' O ' ' A' ' 110' ' ' LEU . 40.4 p -131.54 120.33 22.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.642 HD22 ' CB ' ' A' ' 47' ' ' TRP . 9.7 tp -107.86 139.47 42.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -140.71 148.61 41.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.446 ' C ' ' HG2' ' A' ' 28' ' ' PRO . . . -97.14 129.04 44.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.546 ' CZ ' ' HE3' ' A' ' 75' ' ' LYS . 31.6 p90 -137.27 136.12 37.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 51.9 p-10 -125.37 -174.9 3.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -55.4 -23.88 27.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.853 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.454 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 61.3 t -77.19 -41.6 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.169 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.41 ' N ' HG12 ' A' ' 27' ' ' VAL . . . 166.84 -153.68 23.56 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.472 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.483 ' O ' HG21 ' A' ' 27' ' ' VAL . 13.3 mt-10 -107.77 179.92 4.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.911 0.386 . . . . 0.0 110.897 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -129.2 -144.92 5.8 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.486 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.484 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -106.6 119.22 52.33 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.651 0.739 . . . . 0.0 111.098 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 164.22 35.36 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.662 2.241 . . . . 0.0 112.367 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.808 ' O ' HG22 ' A' ' 97' ' ' THR . 10.3 mt -109.09 -177.97 3.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.939 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -136.8 120.45 17.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -131.18 174.84 9.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 45.2 p -139.08 133.78 32.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -144.37 121.44 11.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 82.9 t -109.36 107.58 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 34.7 p -57.77 132.37 53.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.144 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 46.6 mtp180 -62.08 151.5 80.65 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.603 0.716 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.171 0 C-N-CA 122.708 2.272 . . . . 0.0 112.374 -179.972 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.42 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.74 0.305 . . . . 0.0 110.913 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.492 ' O ' ' CG2' ' A' ' 104' ' ' VAL . 14.5 tt0 -123.97 28.31 6.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 65.7 p -101.07 -23.31 14.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.155 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.3 ptt-85 -120.5 145.67 47.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.46 HG12 ' N ' ' A' ' 105' ' ' GLY . 11.5 m -76.91 148.38 78.84 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.636 0.731 . . . . 0.0 111.133 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 101.96 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.713 2.276 . . . . 0.0 112.327 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -56.62 177.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.5 p -38.0 130.55 0.96 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.617 0.723 . . . . 0.0 111.147 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.423 ' HG2' ' CD1' ' A' ' 110' ' ' LEU . 54.0 Cg_endo -69.75 171.17 14.95 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.694 2.263 . . . . 0.0 112.357 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.5 t -45.92 -56.02 6.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.4 m -169.13 -176.26 2.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.451 HD22 ' HB3' ' A' ' 98' ' ' LEU . 4.6 tp -155.71 117.13 3.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 23.2 t-80 -107.44 142.76 36.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.683 HG11 ' HB ' ' A' ' 96' ' ' ILE . 27.9 m -132.55 130.12 59.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.419 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 3.8 tmt_? -112.16 107.97 55.39 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.575 0.702 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.528 ' HB3' ' HB1' ' A' ' 114' ' ' ALA . 53.8 Cg_endo -69.79 128.87 16.62 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.683 2.255 . . . . 0.0 112.34 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.473 HD13 HG23 ' A' ' 44' ' ' VAL . 2.5 mp -121.93 154.33 37.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.536 HG12 HG23 ' A' ' 41' ' ' THR . 44.5 t -31.44 -73.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.536 HG23 HG12 ' A' ' 40' ' ' VAL . 72.9 p -115.35 25.67 10.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.149 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.435 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 6.9 m -151.17 178.89 8.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.435 ' CG1' ' O ' ' A' ' 42' ' ' SER . 40.0 mt -158.38 112.52 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.103 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.631 HG13 ' CD2' ' A' ' 82' ' ' TYR . 96.8 t -83.91 99.45 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.41 HG13 HG12 ' A' ' 36' ' ' VAL . 86.2 t -90.76 100.21 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.151 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.401 ' HA ' ' CB ' ' A' ' 82' ' ' TYR . 10.4 p -101.11 139.65 36.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.554 ' CZ3' ' HA ' ' A' ' 82' ' ' TYR . 47.2 p90 -138.96 -179.89 6.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 56.3 p -143.54 152.71 57.32 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.603 0.716 . . . . 0.0 111.14 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 161.52 45.59 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.668 2.245 . . . . 0.0 112.394 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 127.0 14.0 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.718 2.279 . . . . 0.0 112.324 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -42.11 -36.37 1.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -70.48 97.51 1.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -83.31 37.74 0.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -122.39 -20.91 5.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 44.9 mt -85.81 128.23 39.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 23' ' ' ASP . 84.7 t -71.28 107.41 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 64.3 t -103.59 114.29 42.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.069 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.425 ' HB3' ' NH1' ' A' ' 58' ' ' ARG . 4.7 mmm180 -81.93 -44.19 17.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -172.03 -179.2 42.8 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.487 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.507 ' HB3' HD11 ' A' ' 98' ' ' LEU . 19.5 m-85 -125.45 168.73 13.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.915 0.388 . . . . 0.0 110.894 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -130.58 122.06 26.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.099 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.405 HD11 ' CZ3' ' A' ' 47' ' ' TRP . 16.8 mt -100.15 137.95 26.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.104 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -135.57 124.28 3.27 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.412 ' CD1' ' N ' ' A' ' 64' ' ' TYR . 3.5 p90 -125.5 172.04 10.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.935 0.398 . . . . 0.0 110.89 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 153.56 145.47 4.16 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.515 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.74 HD11 ' CZ ' ' A' ' 94' ' ' TYR . 47.1 mm -57.67 105.69 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.843 0.354 . . . . 0.0 111.15 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 77.37 -48.02 2.77 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.522 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 26.0 m -115.82 121.05 34.74 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.595 0.712 . . . . 0.0 110.867 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 1.4 4.48 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.666 2.244 . . . . 0.0 112.352 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.406 ' O ' ' CG ' ' A' ' 70' ' ' HIS . 0.0 OUTLIER -86.53 42.8 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -107.95 -53.96 2.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -139.58 153.33 47.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.4 m -135.81 130.05 33.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.176 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 70.1 mt -117.33 117.03 53.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.1 mttt -99.3 123.63 43.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 34.9 m -138.99 162.36 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.146 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.24 158.53 7.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.826 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.426 ' CD2' ' N ' ' A' ' 79' ' ' LYS . 52.0 p90 -61.73 -50.44 72.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.426 ' N ' ' CD2' ' A' ' 78' ' ' TYR . 35.8 mttt -36.59 -50.21 0.79 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.867 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.443 ' O ' ' CZ2' ' A' ' 47' ' ' TRP . 52.6 mm-40 -37.46 112.48 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.966 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 12.0 tpp85 -74.17 -40.64 62.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.631 ' CD2' HG13 ' A' ' 44' ' ' VAL . 18.8 p90 -155.69 165.73 35.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -130.23 142.01 50.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.949 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 61.7 m -105.19 105.07 14.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.112 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 29.2 mt -87.6 105.43 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -101.97 170.94 7.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 73.89 45.74 0.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 29.4 mt -119.98 157.71 28.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.14 121.32 83.78 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.596 0.712 . . . . 0.0 110.876 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 171.7 14.0 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.71 2.274 . . . . 0.0 112.321 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.3 p 50.31 54.99 10.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.823 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.2 m -156.42 148.0 22.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.815 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -92.92 117.59 30.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.74 ' CZ ' HD11 ' A' ' 66' ' ' ILE . 21.9 m-85 -108.86 151.06 26.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.953 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 58.6 t -110.16 107.38 22.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.159 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.683 ' HB ' HG11 ' A' ' 36' ' ' VAL . 3.4 mp -96.2 136.96 25.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 72.5 p -135.51 142.82 45.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.158 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.521 HD22 ' CB ' ' A' ' 47' ' ' TRP . 3.3 tp -134.58 144.53 47.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.919 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -147.28 130.45 16.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.87 125.3 29.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.531 ' CB ' ' HB3' ' A' ' 106' ' ' GLU . 3.8 p90 -127.67 144.27 51.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' A' ' 105' ' ' GLY . 40.8 p-10 -136.43 -175.04 3.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -48.31 -42.74 31.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 41.7 t -68.65 -49.8 61.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.46 ' N ' HG12 ' A' ' 27' ' ' VAL . . . 164.63 -165.2 37.32 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.538 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.531 ' HB3' ' CB ' ' A' ' 101' ' ' PHE . 1.4 pm0 -117.81 166.3 12.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.924 0.393 . . . . 0.0 110.908 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -107.09 -131.74 6.78 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.504 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.555 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -102.68 128.84 27.1 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.602 0.715 . . . . 0.0 111.155 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 168.87 20.26 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.765 2.31 . . . . 0.0 112.361 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.423 ' CD1' ' HG2' ' A' ' 31' ' ' PRO . 25.3 mt -109.07 155.89 20.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -113.57 127.85 56.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -137.45 179.55 6.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 25.3 p -142.22 146.46 35.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.528 ' HB1' ' HB3' ' A' ' 38' ' ' PRO . . . -156.71 119.94 4.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 85.2 t -99.53 98.41 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.129 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 117' ' ' ARG . 16.0 p -44.47 122.61 3.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 116' ' ' THR . 6.5 mmm180 -36.75 144.29 0.29 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.619 0.723 . . . . 0.0 110.866 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.232 0.209 0 C-N-CA 122.695 2.264 . . . . 0.0 112.354 179.989 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -127.35 99.48 5.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.926 0.393 . . . . 0.0 110.88 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 4' ' ' GLY . 97.1 p 38.09 41.64 0.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.89 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 34.56 -137.33 0.24 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.482 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.5 m -163.59 176.73 9.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.859 0.362 . . . . 0.0 110.889 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.7 t -156.55 177.05 11.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.36 87.06 0.18 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.511 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 154.26 67.83 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.669 2.246 . . . . 0.0 112.348 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -161.1 143.84 12.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.2 t -172.39 136.53 0.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -172.43 159.87 4.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -99.97 155.85 17.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.638 ' C ' HD22 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -142.13 170.3 15.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.489 ' N ' HD22 ' A' ' 13' ' ' LEU . 2.9 t -116.61 92.05 3.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -174.96 160.14 2.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.174 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -63.06 179.08 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.47 HG22 ' O ' ' A' ' 17' ' ' THR . 13.9 m -97.43 46.94 1.03 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.111 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.448 ' C ' ' O ' ' A' ' 17' ' ' THR . 63.3 t80 34.44 44.67 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.75 127.76 10.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.864 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 96.4 p -70.35 -19.88 63.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.841 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.06 -40.86 77.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 37.7 mt -39.84 149.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -75.05 93.05 2.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.487 ' CG ' ' OD1' ' A' ' 103' ' ' ASN . 19.2 tt0 -120.82 18.58 11.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.9 t -93.17 -10.75 34.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.171 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.435 ' HA ' HG11 ' A' ' 104' ' ' VAL . 0.4 OUTLIER -137.16 165.7 25.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.526 HG12 ' N ' ' A' ' 105' ' ' GLY . 21.2 m -84.2 145.82 46.73 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.574 0.702 . . . . 0.0 111.165 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 103.39 1.15 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.729 2.286 . . . . 0.0 112.333 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -56.97 170.95 0.39 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.674 HG23 ' HD2' ' A' ' 31' ' ' PRO . 4.6 p -38.24 138.81 0.69 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.657 0.741 . . . . 0.0 111.125 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.674 ' HD2' HG23 ' A' ' 30' ' ' VAL . 53.9 Cg_endo -69.74 169.82 18.0 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.652 2.235 . . . . 0.0 112.373 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 54.5 p -49.42 -46.81 48.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.838 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -174.94 -176.28 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.4 tp -153.61 117.88 4.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 -108.34 143.7 36.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.1 m -133.46 138.46 51.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.077 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.411 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 22.6 ttt85 -120.69 107.84 37.93 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.606 0.717 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 37' ' ' ARG . 53.6 Cg_endo -69.74 129.83 18.31 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.7 2.267 . . . . 0.0 112.389 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.475 ' O ' HG22 ' A' ' 116' ' ' THR . 2.9 mp -122.44 154.29 37.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.627 HG12 HG23 ' A' ' 41' ' ' THR . 60.7 t -31.88 -72.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.068 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.627 HG23 HG12 ' A' ' 40' ' ' VAL . 67.3 p -117.22 24.37 11.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.124 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.476 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 15.5 m -148.19 -179.26 6.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.828 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.476 ' CG1' ' O ' ' A' ' 42' ' ' SER . 44.4 mt -159.72 109.54 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.153 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.461 HG23 HD13 ' A' ' 39' ' ' LEU . 72.5 t -82.71 97.72 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.162 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 64.4 t -87.57 101.87 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.45 ' HA ' ' CB ' ' A' ' 82' ' ' TYR . 53.0 p -106.14 125.23 50.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.557 ' CZ3' ' HA ' ' A' ' 82' ' ' TYR . 49.1 p90 -121.6 -179.68 4.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.953 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.8 p -144.04 144.18 25.41 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.601 0.715 . . . . 0.0 111.12 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 164.61 33.88 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.641 2.227 . . . . 0.0 112.346 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 51' ' ' GLU . 53.6 Cg_endo -69.75 133.51 25.76 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.735 2.29 . . . . 0.0 112.31 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 50' ' ' PRO . 5.3 mp0 -34.85 -45.75 0.27 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -71.09 109.69 5.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -95.34 37.4 1.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -115.67 -26.58 7.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 25.0 mt -73.09 128.11 35.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.148 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 63.0 t -67.98 110.05 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.643 HG11 ' CZ ' ' A' ' 60' ' ' TYR . 90.9 t -108.64 113.19 43.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.131 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -77.04 -47.93 19.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -173.76 176.35 46.31 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.51 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.643 ' CZ ' HG11 ' A' ' 57' ' ' VAL . 12.2 m-85 -124.64 170.65 10.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.879 0.371 . . . . 0.0 110.923 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.501 ' HB2' ' HE2' ' A' ' 75' ' ' LYS . . . -122.57 137.59 54.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.053 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 23.8 mt -117.94 107.81 22.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -102.48 132.85 11.15 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 47.7 p90 -138.39 158.52 44.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.916 0.389 . . . . 0.0 110.933 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 149.74 142.5 3.59 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.515 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.595 HD11 ' CZ ' ' A' ' 94' ' ' TYR . 4.3 mp -68.16 117.93 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.867 0.365 . . . . 0.0 111.142 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 100.63 -43.24 1.78 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 t -159.29 141.1 9.77 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.664 0.745 . . . . 0.0 110.847 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.479 ' HG3' HG21 ' A' ' 97' ' ' THR . 54.2 Cg_endo -69.73 -23.28 31.11 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.689 2.259 . . . . 0.0 112.341 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -52.97 -28.61 24.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -41.04 -64.56 0.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.057 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -132.67 152.1 51.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 89.0 m -136.78 141.46 42.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.141 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 72.7 mt -125.69 126.53 70.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.501 ' HE2' ' HB2' ' A' ' 61' ' ' ALA . 27.9 mmtp -107.98 137.88 45.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 24.6 m -137.77 -174.98 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.11 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -93.93 154.57 17.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.467 ' CD1' ' N ' ' A' ' 79' ' ' LYS . 20.2 p90 -47.79 -53.31 15.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.467 ' N ' ' CD1' ' A' ' 78' ' ' TYR . 4.7 mtpm? -37.55 -47.68 0.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.428 ' OE1' ' N ' ' A' ' 80' ' ' GLN . 2.4 mp0 -53.02 127.19 23.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -100.01 -33.7 10.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.557 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 39.6 p90 -148.1 157.8 43.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.968 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -126.8 128.34 46.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 96.9 m -97.37 93.58 6.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.144 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.408 ' HB ' HD11 ' A' ' 88' ' ' LEU . 32.2 mt -73.8 104.75 2.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.173 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.456 ' C ' ' CG ' ' A' ' 87' ' ' ASN . 47.5 mt-10 -92.86 -176.02 4.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.456 ' CG ' ' C ' ' A' ' 86' ' ' GLU . 0.5 OUTLIER 48.5 52.68 13.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.435 ' CD1' HG13 ' A' ' 43' ' ' ILE . 57.7 mt -109.25 -176.17 2.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -108.41 118.65 51.69 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.615 0.722 . . . . 0.0 110.863 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 165.23 31.63 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.685 2.256 . . . . 0.0 112.338 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.6 m 53.32 49.62 19.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.3 m -153.98 133.02 12.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.864 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -79.3 112.23 16.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.834 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.595 ' CZ ' HD11 ' A' ' 66' ' ' ILE . 16.9 m-85 -102.09 125.57 48.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 87.2 t -89.01 103.39 13.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.139 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.452 HD12 ' O ' ' A' ' 94' ' ' TYR . 4.5 mp -95.72 133.13 37.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.635 HG22 ' O ' ' A' ' 110' ' ' LEU . 37.3 p -123.63 162.79 22.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.516 HD22 ' CB ' ' A' ' 47' ' ' TRP . 11.1 tp -148.54 129.8 14.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.424 ' HG2' ' HB3' ' A' ' 61' ' ' ALA . 14.6 ptpt -138.02 136.31 36.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.47 128.49 36.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 43.9 p90 -132.7 144.96 50.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 40.7 p-10 -141.63 -175.8 4.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.487 ' OD1' ' CG ' ' A' ' 24' ' ' GLU . 5.7 p-10 -53.54 -31.92 48.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.435 HG11 ' HA ' ' A' ' 26' ' ' ARG . 99.0 t -69.95 -44.62 78.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.162 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.526 ' N ' HG12 ' A' ' 27' ' ' VAL . . . 164.23 -170.51 39.47 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -97.45 156.69 16.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.952 0.406 . . . . 0.0 110.834 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -105.8 -150.73 19.15 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.534 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.536 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -101.14 125.43 38.08 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.653 0.74 . . . . 0.0 111.119 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 161.34 46.32 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.671 2.248 . . . . 0.0 112.401 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.635 ' O ' HG22 ' A' ' 97' ' ' THR . 40.9 mt -110.05 163.78 13.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.915 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -122.78 124.49 43.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.975 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -133.38 178.34 6.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 25.1 p -141.66 138.43 32.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -149.25 111.05 4.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.053 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 58.1 t -98.68 108.41 22.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.475 HG22 ' O ' ' A' ' 39' ' ' LEU . 12.3 p -59.23 138.32 57.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -64.04 150.08 92.57 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.581 0.705 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 110.71 2.63 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.672 2.248 . . . . 0.0 112.335 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -53.71 -54.68 34.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 20.8 p 42.11 39.71 1.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.146 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 59.6 p 39.1 39.31 0.38 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.827 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 139.99 82.95 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.453 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -4.87 14.93 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.645 2.23 . . . . 0.0 112.378 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 3.6 t -57.31 149.31 20.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.9 t 64.35 41.36 5.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.483 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.0 p -74.91 168.58 19.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.874 0.369 . . . . 0.0 110.859 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.9 t -164.29 154.8 14.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.822 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.51 72.6 0.24 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.49 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.3 m -96.89 86.14 3.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.889 0.376 . . . . 0.0 110.861 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.9 p -168.98 152.13 5.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.2 83.9 0.17 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 143.95 52.23 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.668 2.245 . . . . 0.0 112.295 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -172.52 136.84 0.79 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.6 p -120.37 174.49 6.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.16 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -53.55 102.01 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.854 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 77.4 m95 -55.53 99.26 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.754 HD23 ' H ' ' A' ' 13' ' ' LEU . 0.9 OUTLIER -78.88 161.64 26.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.93 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.6 t -63.29 137.77 58.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.52 -55.61 4.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.113 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -159.94 166.38 30.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.7 t -76.91 128.0 33.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.178 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -141.14 132.73 27.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -71.64 166.04 22.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 75.7 m -96.33 45.52 1.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -120.29 84.22 2.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.6 mp -128.82 176.47 7.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -90.56 108.58 19.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -120.06 30.04 7.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.3 t -105.2 -18.19 14.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.672 ' CA ' HG11 ' A' ' 104' ' ' VAL . 24.5 ptt180 -126.83 170.41 12.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.821 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.56 HG12 ' N ' ' A' ' 105' ' ' GLY . 19.1 m -93.21 147.62 34.13 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.611 0.719 . . . . 0.0 111.138 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.423 ' HD3' ' CG ' ' A' ' 102' ' ' ASN . 53.9 Cg_endo -69.69 102.02 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.664 2.242 . . . . 0.0 112.385 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 30' ' ' VAL . 6.0 mm-40 -53.13 169.59 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.501 HG23 ' HD2' ' A' ' 31' ' ' PRO . 7.5 p -37.87 134.66 0.83 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.652 0.739 . . . . 0.0 111.107 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.501 ' HD2' HG23 ' A' ' 30' ' ' VAL . 53.8 Cg_endo -69.71 -179.97 3.26 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.689 2.26 . . . . 0.0 112.341 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.42 ' OG ' ' N ' ' A' ' 33' ' ' SER . 3.6 p -51.12 -58.23 6.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.814 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.42 ' N ' ' OG ' ' A' ' 32' ' ' SER . 79.7 p -166.11 -175.0 3.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.818 ' HB3' HD13 ' A' ' 110' ' ' LEU . 2.7 tp -153.58 119.84 5.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.93 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -105.77 149.82 26.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.0 m -137.88 138.39 44.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.402 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 21.4 ttt180 -124.48 109.25 28.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.661 0.743 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 37' ' ' ARG . 54.3 Cg_endo -69.73 128.02 15.45 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.668 2.245 . . . . 0.0 112.394 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.491 ' O ' ' C ' ' A' ' 40' ' ' VAL . 4.7 mp -121.37 154.65 36.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.562 HG12 HG23 ' A' ' 41' ' ' THR . 59.3 t -30.21 -72.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.562 HG23 HG12 ' A' ' 40' ' ' VAL . 29.6 p -119.47 24.63 10.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.466 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 17.5 p -148.46 -178.4 6.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.82 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.466 ' CG1' ' O ' ' A' ' 42' ' ' SER . 52.7 mt -159.25 108.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.119 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.504 HG13 ' CD2' ' A' ' 82' ' ' TYR . 87.2 t -77.83 95.19 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.101 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.9 t -85.07 101.69 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 41.3 p -103.99 126.77 51.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.601 ' CB ' HD22 ' A' ' 98' ' ' LEU . 48.3 p90 -126.36 -175.31 3.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.4 p -145.88 156.83 51.53 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.562 0.696 . . . . 0.0 111.176 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 161.08 47.29 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.668 2.246 . . . . 0.0 112.406 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 142.73 48.69 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.708 2.272 . . . . 0.0 112.345 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -50.48 -47.11 57.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.845 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -83.92 98.06 9.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 54' ' ' ASN . 17.2 mm100 -71.51 -35.44 70.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 53' ' ' GLN . 2.0 m-80 -35.28 -41.5 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 56.2 mt -69.26 131.01 34.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 93.2 t -65.06 143.31 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.128 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.1 t -140.76 113.32 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -82.24 -38.84 23.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -178.14 -169.96 39.68 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.513 ' CD1' ' HA ' ' A' ' 78' ' ' TYR . 17.2 m-85 -134.17 150.92 51.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.872 0.368 . . . . 0.0 110.914 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -111.86 131.2 55.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.077 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.536 HD11 ' CH2' ' A' ' 47' ' ' TRP . 18.9 mt -109.56 135.21 49.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -130.29 137.37 9.47 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -143.2 144.59 32.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.909 0.385 . . . . 0.0 110.92 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 176.67 132.88 1.71 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.52 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 43.5 mt -60.4 105.13 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.83 0.347 . . . . 0.0 111.105 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 106.6 -40.14 2.61 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.487 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.7 t -158.34 141.5 10.83 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.648 0.737 . . . . 0.0 110.877 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 2.34 3.58 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.688 2.259 . . . . 0.0 112.353 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -86.68 41.58 0.96 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -114.35 -49.28 2.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 55.5 mm-40 -141.04 157.88 44.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.6 m -141.51 129.82 22.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 91.4 mt -123.95 108.29 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -97.12 123.67 40.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.922 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 33.4 m -136.22 155.83 35.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.112 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -44.85 153.44 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.513 ' HA ' ' CD1' ' A' ' 60' ' ' TYR . 52.5 p90 -59.54 -48.07 83.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 80' ' ' GLN . 8.6 mtmp? -39.52 -47.12 1.83 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 79' ' ' LYS . 5.8 mm100 -35.4 112.01 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -78.35 -38.17 42.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.844 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.504 ' CD2' HG13 ' A' ' 44' ' ' VAL . 24.1 p90 -157.79 162.55 38.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -132.7 141.03 48.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 50.2 m -103.71 94.22 5.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.17 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 59.8 mt -68.47 117.58 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -105.44 179.74 4.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 67.26 44.26 1.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 64.6 mt -118.15 166.5 12.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -111.38 136.13 20.98 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.575 0.702 . . . . 0.0 110.902 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 161.14 47.07 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.404 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 m 62.02 46.51 6.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 42.4 m -152.06 133.55 14.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.805 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -80.0 131.8 35.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.553 ' O ' HD12 ' A' ' 96' ' ' ILE . 61.3 m-85 -124.23 120.77 33.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 99.7 t -85.71 109.83 18.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.157 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.553 HD12 ' O ' ' A' ' 94' ' ' TYR . 4.2 mp -100.3 135.3 36.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.793 HG22 ' O ' ' A' ' 110' ' ' LEU . 38.5 p -128.95 145.14 51.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.601 HD22 ' CB ' ' A' ' 47' ' ' TRP . 11.9 tp -131.67 132.86 44.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.0 ptpp? -136.53 127.26 27.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 107' ' ' GLY . . . -83.03 122.66 28.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.087 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -122.26 168.83 11.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.423 ' CG ' ' HD3' ' A' ' 28' ' ' PRO . 43.0 p-10 -161.44 -175.13 4.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -52.8 -34.41 53.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.672 HG11 ' CA ' ' A' ' 26' ' ' ARG . 99.1 t -65.88 -49.28 78.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.56 ' N ' HG12 ' A' ' 27' ' ' VAL . . . 178.07 -129.47 1.43 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.47 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.429 ' O ' HG21 ' A' ' 27' ' ' VAL . 26.6 mt-10 -130.99 158.62 39.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.886 0.374 . . . . 0.0 110.867 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 100' ' ' ALA . . . -102.1 -175.0 27.75 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.523 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 6.1 mm -82.29 127.47 71.11 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.621 0.724 . . . . 0.0 111.116 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.421 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 53.6 Cg_endo -69.72 162.66 41.19 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.738 2.292 . . . . 0.0 112.327 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.818 HD13 ' HB3' ' A' ' 34' ' ' LEU . 32.9 mt -110.43 178.85 4.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.965 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -139.15 115.01 10.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -129.05 176.38 7.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 52.8 p -140.97 134.29 29.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -144.2 114.22 7.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.096 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 97.5 t -99.4 96.07 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.087 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 23.0 p -41.54 141.4 0.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.18 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 48.3 mtt-85 -51.11 157.09 1.57 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.594 0.712 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -4.18 13.49 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.688 2.259 . . . . 0.0 112.357 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.519 ' CG ' ' O ' ' A' ' 119' ' ' HIS . 32.9 t60 50.03 44.73 25.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 27.6 m -111.02 90.56 3.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 66.1 m -68.22 -58.0 5.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 116.3 -168.7 12.78 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.523 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 133.55 25.77 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 51.3 p -79.13 138.44 37.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.826 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 34.2 p -166.54 173.18 10.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.851 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.5 -179.94 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.9 m 62.29 42.9 8.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.878 0.371 . . . . 0.0 110.888 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 t -71.0 177.02 3.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.03 -157.56 7.35 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.466 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -145.57 157.48 43.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.824 0.345 . . . . 0.0 110.883 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.3 p -126.72 151.22 48.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.835 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.71 147.56 26.72 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.47 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 129.93 18.45 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.739 2.293 . . . . 0.0 112.385 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.8 144.97 55.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.111 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.2 t -65.08 152.02 44.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.131 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 12' ' ' TRP . 25.1 m-20 -121.37 92.1 3.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.447 ' C ' ' O ' ' A' ' 11' ' ' ASP . 5.0 m-90 -34.95 137.88 0.12 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 26.3 mt -83.11 -45.57 13.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 90.2 p -140.97 109.65 6.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.49 -44.9 0.75 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.052 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -154.59 143.94 21.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.1 m -103.05 82.76 2.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.173 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.45 ' O ' ' C ' ' A' ' 19' ' ' GLU . 0.7 OUTLIER -165.17 124.05 1.73 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 18' ' ' PHE . 1.8 tp10 -34.57 148.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.7 p -82.21 42.04 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.829 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -118.47 38.75 3.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.9 mt -111.37 164.7 12.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.934 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -89.94 124.11 34.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -128.09 32.46 4.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 65.6 p -106.87 -19.86 13.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.142 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -123.44 150.65 43.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.836 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.515 HG12 ' N ' ' A' ' 105' ' ' GLY . 29.6 m -77.95 148.36 75.29 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.662 0.744 . . . . 0.0 111.137 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.485 ' HD3' ' ND2' ' A' ' 102' ' ' ASN . 54.2 Cg_endo -69.69 102.84 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.718 2.279 . . . . 0.0 112.31 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -49.23 179.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.661 HG23 ' HD2' ' A' ' 31' ' ' PRO . 4.7 p -47.83 138.85 9.51 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.618 0.723 . . . . 0.0 111.134 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.661 ' HD2' HG23 ' A' ' 30' ' ' VAL . 53.7 Cg_endo -69.73 167.58 23.98 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.725 2.283 . . . . 0.0 112.316 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -48.75 -50.14 35.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 t -174.07 -176.99 1.24 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.843 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 tp -153.98 110.11 3.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -98.2 141.75 30.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.823 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.4 m -128.16 139.31 52.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.57 ' HG3' HD12 ' A' ' 39' ' ' LEU . 15.3 tpp180 -123.72 107.72 31.24 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.652 0.739 . . . . 0.0 110.838 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 37' ' ' ARG . 53.6 Cg_endo -69.81 127.77 15.02 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.674 2.25 . . . . 0.0 112.358 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.704 ' CD1' HG23 ' A' ' 44' ' ' VAL . 5.0 mp -121.87 154.4 37.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.648 HG12 HG23 ' A' ' 41' ' ' THR . 94.9 t -31.18 -71.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.648 HG23 HG12 ' A' ' 40' ' ' VAL . 43.9 p -119.12 23.68 11.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.104 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.5 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 1.4 t -147.47 -177.85 5.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.871 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.5 ' CG1' ' O ' ' A' ' 42' ' ' SER . 23.1 mt -160.76 105.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.704 HG23 ' CD1' ' A' ' 39' ' ' LEU . 2.6 t -77.62 97.92 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 72.0 t -86.64 100.09 9.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.11 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 85.3 p -105.3 124.55 49.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.518 ' CZ2' ' O ' ' A' ' 80' ' ' GLN . 45.2 p90 -125.43 -176.36 3.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.4 p -137.7 153.92 74.43 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.571 0.701 . . . . 0.0 111.143 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 161.77 44.66 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.698 2.265 . . . . 0.0 112.338 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 122.81 9.49 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.672 2.248 . . . . 0.0 112.34 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.5 mp0 -39.26 -41.37 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -71.12 108.09 4.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -93.29 35.04 1.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.945 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -113.6 -26.95 8.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.471 HD13 ' HA ' ' A' ' 28' ' ' PRO . 12.4 mt -84.47 127.38 39.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.166 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 77.2 t -68.79 118.41 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.1 t -107.03 125.66 63.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -96.98 -32.48 11.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 175.93 -177.37 47.62 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.448 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -133.0 165.53 24.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.914 0.388 . . . . 0.0 110.882 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.36 125.56 45.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.095 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.404 HD11 ' CH2' ' A' ' 47' ' ' TRP . 14.4 mt -111.34 108.53 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -100.55 142.83 16.01 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.483 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -144.94 155.47 43.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.911 0.386 . . . . 0.0 110.918 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.469 ' HA3' ' HB3' ' A' ' 71' ' ' ALA . . . 169.08 156.04 10.3 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.449 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.823 HD11 ' CZ ' ' A' ' 94' ' ' TYR . 47.3 mm -78.32 88.36 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.872 0.368 . . . . 0.0 111.133 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.67 -35.32 4.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.47 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 70.9 m -153.96 141.85 13.91 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.71 0.767 . . . . 0.0 110.839 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 0.33 5.78 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.372 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.426 ' O ' ' C ' ' A' ' 71' ' ' ALA . 23.4 m-70 -76.59 -33.72 58.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.469 ' HB3' ' HA3' ' A' ' 65' ' ' GLY . . . -35.32 -61.45 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.09 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -141.4 155.77 45.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.6 m -140.71 134.62 30.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.132 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 86.6 mt -122.31 112.85 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 44.0 mttp -100.37 134.64 43.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.2 m -132.21 176.71 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.69 -179.53 0.88 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -86.54 -15.9 38.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 63.6 mttt -87.13 34.92 0.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.907 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.518 ' O ' ' CZ2' ' A' ' 47' ' ' TRP . 60.2 mm-40 -121.32 115.69 23.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -85.14 -39.4 17.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -145.01 162.3 37.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -141.69 133.88 27.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.933 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 52.7 m -96.82 111.4 23.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.12 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 70.4 mt -91.08 98.24 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.122 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -93.65 176.31 6.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.3 m120 70.32 44.67 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.853 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 85.8 mt -115.57 171.06 7.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -100.17 122.96 48.55 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.598 0.713 . . . . 0.0 110.866 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 157.34 60.66 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.644 2.23 . . . . 0.0 112.344 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 37.2 t 64.43 47.08 3.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.7 m -155.27 141.34 18.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -79.5 135.71 36.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.823 ' CZ ' HD11 ' A' ' 66' ' ' ILE . 24.9 m-85 -128.14 131.01 48.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 65.5 t -96.53 122.01 47.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.16 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.55 ' N ' HD12 ' A' ' 96' ' ' ILE . 4.0 mp -112.11 135.33 51.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.783 HG22 ' O ' ' A' ' 110' ' ' LEU . 22.7 p -130.31 145.19 51.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 5.3 tp -136.58 136.33 39.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.0 ptpp? -139.85 132.06 28.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -80.94 123.0 27.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.418 ' C ' ' CD1' ' A' ' 101' ' ' PHE . 9.0 p90 -124.81 162.67 23.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.485 ' ND2' ' HD3' ' A' ' 28' ' ' PRO . 42.6 p-10 -159.2 -175.91 5.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -51.93 -34.65 42.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 52.6 t -65.45 -48.44 82.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.137 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.515 ' N ' HG12 ' A' ' 27' ' ' VAL . . . 173.26 -129.56 1.7 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.512 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -133.03 158.07 43.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.895 0.378 . . . . 0.0 110.876 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -105.07 -167.08 24.05 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.461 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 5.3 mm -85.15 124.32 72.26 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.613 0.72 . . . . 0.0 111.136 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 167.85 23.2 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.668 2.245 . . . . 0.0 112.355 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.783 ' O ' HG22 ' A' ' 97' ' ' THR . 67.2 mt -118.38 176.35 5.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -136.14 125.44 24.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.945 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -134.6 174.51 10.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 71.8 p -138.24 135.32 35.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -145.25 115.04 7.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.098 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 80.1 t -102.01 102.12 13.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 40.8 p -48.22 146.08 2.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 26.6 mtp180 -74.53 158.04 85.51 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.61 0.719 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 119.14 6.14 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.691 2.261 . . . . 0.0 112.374 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -96.08 37.88 1.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.844 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 30.7 p -93.67 83.21 4.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.131 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 47.4 m -157.51 154.6 28.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -91.35 -147.6 20.11 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.453 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -4.69 14.51 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.657 2.238 . . . . 0.0 112.347 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.6 t -58.15 -50.78 72.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.865 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 15.9 t -60.8 -61.07 2.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.84 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 -179.981 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 t -169.56 153.07 4.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 110.834 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.5 p -128.78 170.07 13.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.12 175.0 43.0 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.548 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 t -128.11 154.22 45.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.872 0.368 . . . . 0.0 110.833 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 m -144.51 115.17 7.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.846 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.93 166.18 35.33 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.519 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -34.69 14.07 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.729 2.286 . . . . 0.0 112.303 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 39.42 33.46 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.459 HG23 ' O ' ' A' ' 10' ' ' THR . 11.6 t -96.97 126.95 42.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.158 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -131.22 100.47 5.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 41.1 m95 -121.24 161.47 21.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -90.49 172.68 8.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 81.0 p -104.36 150.34 24.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -124.74 148.41 48.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.072 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -103.82 42.5 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 17' ' ' THR . 12.5 t -113.44 34.36 4.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.41 ' O ' ' CG ' ' A' ' 18' ' ' PHE . 1.2 p90 -147.86 119.08 7.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -73.8 153.15 40.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.8 m -87.26 43.63 1.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.84 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -108.26 45.91 0.99 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.807 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.6 mt -146.4 170.86 15.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.7 81.98 2.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.635 ' O ' HG21 ' A' ' 104' ' ' VAL . 39.2 tt0 -83.55 -34.36 25.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 64.4 p -43.11 -23.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 24' ' ' GLU . 9.5 ptp180 -106.09 145.47 31.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.4 m -82.41 148.93 60.3 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.621 0.724 . . . . 0.0 111.129 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 102.55 1.04 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.715 2.277 . . . . 0.0 112.323 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -56.69 -179.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.556 ' CG2' HD21 ' A' ' 110' ' ' LEU . 0.4 OUTLIER -43.92 133.21 4.1 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.599 0.714 . . . . 0.0 111.157 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 167.18 25.22 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.719 2.279 . . . . 0.0 112.31 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -43.54 -54.12 5.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.5 p -172.73 179.27 2.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.837 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.857 HD23 ' OE1' ' A' ' 112' ' ' GLU . 1.9 tp -146.62 119.53 8.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 21.3 t-80 -110.68 147.99 33.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 23.7 m -138.13 161.1 32.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.431 ' HD3' ' C ' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -140.05 109.61 7.05 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.636 0.731 . . . . 0.0 110.887 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.527 ' HB3' ' HB1' ' A' ' 114' ' ' ALA . 53.4 Cg_endo -69.79 120.11 6.94 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.677 2.251 . . . . 0.0 112.317 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.47 ' O ' ' C ' ' A' ' 40' ' ' VAL . 4.9 mp -115.86 154.09 30.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.95 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.613 HG12 HG23 ' A' ' 41' ' ' THR . 74.8 t -31.95 -75.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.143 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.613 HG23 HG12 ' A' ' 40' ' ' VAL . 17.1 p -113.1 23.34 13.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.158 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.504 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 1.2 p -149.15 -178.96 6.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.504 ' CG1' ' O ' ' A' ' 42' ' ' SER . 22.0 mt -160.6 108.17 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.419 HG23 HD13 ' A' ' 39' ' ' LEU . 96.6 t -75.08 118.55 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.7 t -108.56 102.41 13.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.8 p -109.0 128.33 54.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.823 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.565 ' CZ2' ' O ' ' A' ' 80' ' ' GLN . 41.7 p90 -128.67 -178.72 4.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.6 p -139.77 153.15 69.7 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.525 0.679 . . . . 0.0 111.189 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 157.33 60.75 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.699 2.266 . . . . 0.0 112.326 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 126.55 13.47 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.694 2.263 . . . . 0.0 112.382 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -47.44 -25.62 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -86.4 94.34 9.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 -77.98 -17.7 56.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.432 ' H ' ' ND2' ' A' ' 54' ' ' ASN . 3.8 m-80 -54.91 -29.33 55.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 10.7 mt -89.22 137.98 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.156 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.8 t -81.48 133.3 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.126 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.0 t -119.65 130.55 73.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.8 mmp_? -100.72 -28.7 12.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.522 ' C ' ' CE1' ' A' ' 101' ' ' PHE . . . 173.45 177.23 42.53 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -123.92 164.61 18.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.913 0.387 . . . . 0.0 110.897 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.488 ' HB3' ' HG3' ' A' ' 99' ' ' LYS . . . -121.71 116.13 23.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.118 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.1 mt -99.02 143.3 13.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -137.4 145.91 17.7 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.513 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.453 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 5.8 p90 -147.95 158.52 44.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.905 0.383 . . . . 0.0 110.898 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 154.46 147.46 4.68 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.492 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 15.7 mt -69.87 110.04 2.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.855 0.359 . . . . 0.0 111.183 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 98.88 -47.58 1.38 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.8 m -148.0 140.28 14.49 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.622 0.725 . . . . 0.0 110.859 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.52 ' HG3' HG21 ' A' ' 97' ' ' THR . 53.5 Cg_endo -69.81 -23.12 30.95 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.67 2.247 . . . . 0.0 112.315 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -44.71 -25.6 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 64' ' ' TYR . . . -41.33 -71.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -134.04 148.69 51.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 63.3 m -128.94 124.92 36.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.174 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 50.0 mt -111.58 110.44 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.08 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 49.5 mttt -98.07 123.92 42.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 30.9 m -123.13 -176.13 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.166 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -71.85 -177.75 2.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -93.76 -4.05 51.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.7 mtmt -101.39 32.69 3.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.565 ' O ' ' CZ2' ' A' ' 47' ' ' TRP . 46.7 mm-40 -113.64 109.24 18.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -69.99 -42.3 73.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 18.4 p90 -151.1 165.68 33.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -135.84 137.37 41.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.951 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 88.5 m -100.33 114.01 27.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 33.1 mt -95.29 114.58 32.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.14 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -112.41 168.81 9.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 74.61 48.42 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 55.2 mt -119.14 166.94 12.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -89.68 121.82 68.71 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.63 0.729 . . . . 0.0 110.863 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 150.56 68.7 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.393 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.3 t 67.39 48.62 1.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.7 m -152.82 138.96 18.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -79.01 134.36 36.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -130.28 129.85 43.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 77.2 t -88.21 114.58 27.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.099 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 3.0 mp -101.19 130.31 50.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.1 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.52 HG21 ' HG3' ' A' ' 69' ' ' PRO . 31.1 p -129.17 154.94 46.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.558 HD22 ' CB ' ' A' ' 47' ' ' TRP . 4.9 tp -150.37 141.94 23.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.488 ' HG3' ' HB3' ' A' ' 61' ' ' ALA . 3.0 pttt -149.7 148.27 29.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -96.79 137.91 35.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.07 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.522 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 52.8 p90 -131.5 166.45 21.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 39.1 p-10 -151.0 -179.15 7.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -55.28 -14.48 1.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.635 HG21 ' O ' ' A' ' 24' ' ' GLU . 94.8 t -90.7 -49.94 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.149 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 172.16 -160.7 32.29 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.459 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -110.95 176.98 4.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.892 0.377 . . . . 0.0 110.872 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -122.44 -144.53 6.76 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.521 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.5 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -105.23 112.93 64.98 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.59 0.709 . . . . 0.0 111.19 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 167.07 25.44 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.676 2.25 . . . . 0.0 112.362 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.556 HD21 ' CG2' ' A' ' 30' ' ' VAL . 6.3 mt -108.75 167.13 10.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -118.67 132.94 56.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.857 ' OE1' HD23 ' A' ' 34' ' ' LEU . 2.3 mp0 -132.67 172.98 11.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 62.1 p -140.72 135.63 31.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.527 ' HB1' ' HB3' ' A' ' 38' ' ' PRO . . . -147.01 126.34 13.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 47.0 t -110.07 101.29 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.168 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 33.4 p -51.31 149.02 4.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 44.6 mtt180 -78.18 153.42 79.63 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.608 0.718 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 119' ' ' HIS . 53.6 Cg_endo -69.73 96.58 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.678 2.252 . . . . 0.0 112.317 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.431 ' C ' ' O ' ' A' ' 118' ' ' PRO . 5.3 t-80 -34.76 108.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.91 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 10.1 t -119.94 161.18 21.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 12.7 t -117.2 128.0 54.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.813 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 157.11 73.79 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.508 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 139.54 40.51 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.685 2.257 . . . . 0.0 112.352 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 3.8 m -98.67 97.59 8.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.851 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 89.3 p -45.43 -49.86 12.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.848 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 -179.96 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.2 t -153.84 151.94 30.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.843 0.354 . . . . 0.0 110.856 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -146.53 173.45 12.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.55 101.67 0.17 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.478 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -103.3 -48.3 4.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.851 0.358 . . . . 0.0 110.853 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.5 m -51.53 141.66 15.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.58 64.44 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.535 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 158.77 55.8 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.668 2.245 . . . . 0.0 112.326 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.15 41.05 0.95 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 61.4 m -134.4 149.37 50.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.114 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -51.03 173.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 14.7 m95 -83.69 114.44 21.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.2 mp -98.06 119.82 37.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 15' ' ' ALA . 97.4 p -103.09 72.17 1.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 14' ' ' SER . . . 35.32 47.13 0.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -102.65 82.79 2.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 73.0 p -126.4 146.99 49.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.421 ' CD1' ' N ' ' A' ' 19' ' ' GLU . 8.1 p90 -101.11 -48.92 4.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.421 ' N ' ' CD1' ' A' ' 18' ' ' PHE . 6.7 pt-20 -137.94 121.85 17.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.4 p -132.87 -55.16 0.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -84.76 -35.58 22.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.815 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 16.9 mt -45.86 136.41 6.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -93.45 103.5 15.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.817 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.798 ' O ' HG21 ' A' ' 104' ' ' VAL . 53.1 tt0 -105.61 -34.55 7.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.6 t -38.82 -26.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.131 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 24' ' ' GLU . 2.4 ptm85 -108.27 159.35 16.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.498 HG12 ' HB ' ' A' ' 104' ' ' VAL . 8.1 m -91.65 146.31 32.89 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.627 0.727 . . . . 0.0 111.109 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.417 ' HG2' ' C ' ' A' ' 100' ' ' ALA . 53.6 Cg_endo -69.8 123.9 10.54 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.644 2.229 . . . . 0.0 112.354 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -75.94 -177.46 3.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.517 ' CG2' HD21 ' A' ' 110' ' ' LEU . 0.8 OUTLIER -49.12 131.53 16.05 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.645 0.736 . . . . 0.0 111.138 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.685 ' HG2' HD11 ' A' ' 110' ' ' LEU . 53.7 Cg_endo -69.79 171.23 14.87 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.659 2.24 . . . . 0.0 112.329 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.2 p -45.66 -52.3 10.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 t -174.59 -176.01 1.0 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.512 HD22 ' HB3' ' A' ' 98' ' ' LEU . 2.5 tp -149.46 114.4 5.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -98.13 143.3 28.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.824 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.2 m -136.02 145.46 31.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.171 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -130.35 111.79 16.69 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.583 0.706 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 122.72 9.39 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.645 2.23 . . . . 0.0 112.332 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.481 ' O ' ' C ' ' A' ' 40' ' ' VAL . 5.2 mp -116.63 154.53 30.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.616 HG12 HG23 ' A' ' 41' ' ' THR . 78.4 t -30.98 -73.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.616 HG23 HG12 ' A' ' 40' ' ' VAL . 21.1 p -116.27 24.5 11.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.129 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.47 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 1.9 p -149.74 -177.8 6.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.47 ' CG1' ' O ' ' A' ' 42' ' ' SER . 20.9 mt -159.54 108.44 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.151 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 83.0 t -73.95 108.9 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.152 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 81.3 t -100.61 100.74 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.6 p -108.87 132.2 54.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.612 ' CB ' HD22 ' A' ' 98' ' ' LEU . 39.4 p90 -136.72 177.99 7.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.964 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -139.77 157.93 68.85 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.606 0.717 . . . . 0.0 111.113 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 157.86 58.93 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.673 2.248 . . . . 0.0 112.362 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.449 ' O ' ' N ' ' A' ' 52' ' ' ASN . 53.4 Cg_endo -69.75 133.79 26.43 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.719 2.279 . . . . 0.0 112.324 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 50' ' ' PRO . 34.2 mt-10 -37.23 -31.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.828 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 50' ' ' PRO . 31.0 t-20 -92.14 86.91 5.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -76.9 -19.39 57.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -51.28 -17.29 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 11.9 mt -91.8 144.39 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 77.7 t -82.73 139.53 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.48 HG12 ' H ' ' A' ' 59' ' ' GLY . 46.4 t -133.51 118.62 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.115 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -82.44 -10.35 59.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.48 ' H ' HG12 ' A' ' 57' ' ' VAL . . . 151.24 177.61 25.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.521 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -124.99 157.19 36.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.848 0.356 . . . . 0.0 110.981 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -113.09 129.37 56.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.101 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 17.1 mt -111.06 114.18 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.099 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -107.04 123.9 7.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.493 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -131.15 154.46 48.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.968 0.413 . . . . 0.0 110.908 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.56 ' HA3' ' HB3' ' A' ' 71' ' ' ALA . . . 165.42 145.9 4.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.514 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.478 HG13 ' CE2' ' A' ' 94' ' ' TYR . 58.8 mt -69.74 99.77 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.845 0.355 . . . . 0.0 111.139 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.36 -45.02 1.36 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.498 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 80.2 p -134.57 130.86 20.06 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.63 0.728 . . . . 0.0 110.855 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -18.95 36.79 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.699 2.266 . . . . 0.0 112.342 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -70.76 -21.56 62.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.56 ' HB3' ' HA3' ' A' ' 65' ' ' GLY . . . -39.31 -48.62 1.88 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.099 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -140.62 156.92 46.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.6 m -141.78 143.07 33.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 88.9 mt -138.6 109.17 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.155 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.3 mttp -97.09 120.49 37.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 29.4 m -126.58 157.66 37.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.126 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -49.06 177.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.514 ' CE1' ' HG2' ' A' ' 79' ' ' LYS . 30.1 p90 -79.64 -49.64 11.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.961 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.514 ' HG2' ' CE1' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -39.44 -30.88 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.947 179.868 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -60.87 124.13 19.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.7 ttm-85 -101.55 -27.46 13.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.837 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.495 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 9.4 p90 -151.64 164.92 35.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -140.8 137.82 33.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.985 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 83.4 m -97.99 97.54 9.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.552 ' CG2' HD11 ' A' ' 88' ' ' LEU . 61.8 mt -73.75 118.38 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -114.07 176.39 5.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 64.98 52.65 1.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.552 HD11 ' CG2' ' A' ' 85' ' ' ILE . 52.3 mt -123.23 169.15 11.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -98.4 127.04 37.38 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.572 0.701 . . . . 0.0 110.843 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 148.04 63.86 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.668 2.245 . . . . 0.0 112.333 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.3 t 67.32 45.02 1.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 t -143.75 142.34 30.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -83.7 133.79 34.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.818 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.478 ' CE2' HG13 ' A' ' 66' ' ' ILE . 24.1 m-85 -126.77 144.05 51.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 18.3 t -107.44 104.95 17.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.094 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.505 ' N ' HD12 ' A' ' 96' ' ' ILE . 2.3 mp -93.16 139.14 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.804 HG22 ' O ' ' A' ' 110' ' ' LEU . 7.8 p -135.84 133.81 38.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.612 HD22 ' CB ' ' A' ' 47' ' ' TRP . 4.8 tp -125.89 140.96 52.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.6 ptpt -151.33 140.21 20.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.417 ' C ' ' HG2' ' A' ' 28' ' ' PRO . . . -84.51 133.49 34.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.093 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -137.78 140.3 40.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.897 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 45.3 p-10 -126.19 -175.38 3.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -53.39 -19.08 3.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.798 HG21 ' O ' ' A' ' 24' ' ' GLU . 3.3 t -87.92 -49.55 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 166.74 -166.87 39.31 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.443 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -111.66 160.44 17.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.92 0.391 . . . . 0.0 110.889 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -101.55 -126.42 5.83 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.49 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.539 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -106.58 121.46 45.11 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.632 0.729 . . . . 0.0 111.159 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 169.99 17.66 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.679 2.252 . . . . 0.0 112.361 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.804 ' O ' HG22 ' A' ' 97' ' ' THR . 10.9 mt -109.98 -179.49 3.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -137.9 124.63 21.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -137.47 172.36 13.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 25.7 p -141.48 140.64 33.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -148.89 111.92 4.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.062 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 116' ' ' THR . 36.4 t -92.98 95.99 5.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 115' ' ' VAL . 2.5 p -38.24 152.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 71.6 mtt-85 -84.57 154.42 62.14 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.628 0.727 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 136.68 33.75 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.404 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -100.79 -34.2 9.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 88.8 m -92.59 -70.24 0.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.181 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.6 t -54.86 153.94 5.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 119.49 83.72 0.84 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.511 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 174.95 8.8 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.662 2.241 . . . . 0.0 112.289 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 66.7 m -52.53 112.75 0.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 81.1 p -51.86 137.94 25.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.51 -179.957 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.7 p -173.55 162.91 4.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.849 0.357 . . . . 0.0 110.913 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -158.6 171.51 19.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.31 130.27 8.28 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.46 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 t -124.56 104.8 8.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.853 0.358 . . . . 0.0 110.825 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.3 p -131.04 102.86 6.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.847 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.5 117.69 2.18 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.521 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 0.01 6.3 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.699 2.266 . . . . 0.0 112.329 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.86 88.13 6.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.078 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 33.6 m -91.23 127.2 36.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.158 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -39.79 -47.96 2.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 5.3 m0 -120.46 92.65 3.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.4 mp -48.07 151.64 0.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.1 p -85.83 41.13 0.89 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -99.03 157.82 16.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.103 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -121.42 174.16 6.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.6 p -138.5 121.64 16.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.158 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.449 ' O ' ' CG ' ' A' ' 18' ' ' PHE . 2.2 p90 -166.57 121.56 1.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.438 ' O ' HD23 ' A' ' 22' ' ' LEU . 6.3 tp10 -114.99 143.62 44.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 64.5 p 45.96 31.94 1.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.2 t70 68.16 51.4 0.72 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.835 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.438 HD23 ' O ' ' A' ' 19' ' ' GLU . 0.4 OUTLIER -113.96 154.28 27.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -102.26 114.7 29.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -130.08 38.17 3.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.2 p -111.84 -20.16 12.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.482 ' CA ' HG11 ' A' ' 104' ' ' VAL . 2.9 ptm85 -125.39 161.12 27.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 32.8 m -81.19 146.98 59.61 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.646 0.736 . . . . 0.0 111.149 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 102.9 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.674 2.249 . . . . 0.0 112.33 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 30' ' ' VAL . 2.9 pt-20 -56.39 167.55 0.67 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.622 HG23 ' HD2' ' A' ' 31' ' ' PRO . 3.9 p -34.12 137.61 0.32 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.619 0.723 . . . . 0.0 111.137 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.622 ' HD2' HG23 ' A' ' 30' ' ' VAL . 53.3 Cg_endo -69.77 170.31 16.9 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.679 2.253 . . . . 0.0 112.346 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.1 t -46.63 -47.22 20.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -174.46 174.74 2.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.888 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.528 HD22 ' HB3' ' A' ' 98' ' ' LEU . 5.7 tp -148.78 112.17 4.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 23.6 t60 -103.27 147.84 26.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 23.7 m -134.7 145.26 32.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.088 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.401 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 26.5 ttm180 -129.94 109.8 16.96 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.563 0.697 . . . . 0.0 110.864 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 37' ' ' ARG . 53.7 Cg_endo -69.77 127.36 14.48 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.701 2.267 . . . . 0.0 112.295 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.506 HD13 HG23 ' A' ' 44' ' ' VAL . 4.5 mp -118.19 154.41 32.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.679 HG12 HG23 ' A' ' 41' ' ' THR . 78.1 t -30.67 -74.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.127 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.679 HG23 HG12 ' A' ' 40' ' ' VAL . 65.8 p -116.59 26.52 9.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.438 ' C ' HG13 ' A' ' 43' ' ' ILE . 2.2 p -151.61 -177.83 6.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.438 HG13 ' C ' ' A' ' 42' ' ' SER . 61.8 mt -157.19 118.98 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.114 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.506 HG23 HD13 ' A' ' 39' ' ' LEU . 87.6 t -89.17 105.33 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 67.9 t -97.97 103.26 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.6 t -107.38 126.99 53.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.65 ' CZ3' HD11 ' A' ' 62' ' ' ILE . 45.1 p90 -126.14 168.47 13.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 68.4 p -129.85 152.43 79.87 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.604 0.716 . . . . 0.0 111.109 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 156.53 63.05 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.663 2.242 . . . . 0.0 112.359 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 51' ' ' GLU . 53.7 Cg_endo -69.81 125.07 11.7 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.698 2.266 . . . . 0.0 112.328 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 50' ' ' PRO . 4.9 pt-20 -37.37 -38.51 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -78.11 86.11 4.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 54' ' ' ASN . 44.7 mm-40 -64.54 -36.43 84.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 53' ' ' GLN . 24.1 m120 -38.16 -39.32 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 68.8 mt -68.59 126.61 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.098 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.0 t -69.98 108.92 2.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.12 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.7 t -106.29 105.89 19.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -79.06 -37.8 38.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -178.01 -172.86 42.9 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.469 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -133.63 174.09 10.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.895 0.378 . . . . 0.0 110.893 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.41 ' HB3' ' CG ' ' A' ' 99' ' ' LYS . . . -131.93 116.63 17.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.082 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.65 HD11 ' CZ3' ' A' ' 47' ' ' TRP . 47.3 mt -95.49 139.01 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.08 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -130.74 134.06 7.59 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.45 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.429 ' C ' ' HA ' ' A' ' 69' ' ' PRO . 21.9 p90 -142.09 171.57 13.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.915 0.388 . . . . 0.0 110.916 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 144.51 128.54 2.11 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.463 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.471 HG13 ' CE1' ' A' ' 94' ' ' TYR . 40.3 mt -48.57 105.64 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.885 0.374 . . . . 0.0 111.108 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.58 -52.65 0.76 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.505 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.9 m -143.65 143.6 24.19 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.654 0.74 . . . . 0.0 110.902 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.45 ' HG3' HG21 ' A' ' 97' ' ' THR . 53.9 Cg_endo -69.74 -40.06 5.8 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.703 2.269 . . . . 0.0 112.329 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.419 ' C ' ' O ' ' A' ' 69' ' ' PRO . 4.2 p-80 -36.86 -36.05 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -39.57 -50.47 2.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -142.47 152.29 42.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 89.7 m -142.61 127.09 17.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 32.9 mt -117.57 119.44 61.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.158 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.1 mttt -102.64 132.64 48.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 26.8 m -137.3 150.41 26.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.177 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -53.11 161.93 0.76 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.519 ' CE2' ' HG3' ' A' ' 79' ' ' LYS . 53.9 p90 -59.11 -45.94 89.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.519 ' HG3' ' CE2' ' A' ' 78' ' ' TYR . 32.6 mtmt -40.36 -44.5 1.97 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -55.44 114.87 2.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -85.01 -36.95 20.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -144.67 167.61 22.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -141.37 136.02 31.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.946 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 89.7 m -103.33 108.99 20.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 44.4 mt -87.31 109.6 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -99.95 -176.44 3.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 10.9 m120 63.09 45.61 5.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 93.6 mt -118.04 155.89 29.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.99 129.13 47.26 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.578 0.704 . . . . 0.0 110.883 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 150.33 67.97 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.703 2.269 . . . . 0.0 112.336 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.0 t 69.17 52.82 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.546 ' O ' HG13 ' A' ' 115' ' ' VAL . 5.0 m -149.78 155.33 39.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.827 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -93.8 128.86 40.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.471 ' CE1' HG13 ' A' ' 66' ' ' ILE . 49.5 m-85 -126.07 125.19 42.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 93.2 t -93.44 103.55 14.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.127 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.466 ' N ' HD12 ' A' ' 96' ' ' ILE . 4.5 mp -92.29 135.63 26.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.086 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.585 HG22 ' O ' ' A' ' 110' ' ' LEU . 72.0 p -129.22 162.95 26.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.179 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.528 ' HB3' HD22 ' A' ' 34' ' ' LEU . 8.9 tp -150.91 131.19 13.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.41 ' CG ' ' HB3' ' A' ' 61' ' ' ALA . 10.2 ptpp? -137.48 131.05 31.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.06 139.2 38.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.105 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.492 ' C ' ' CD1' ' A' ' 101' ' ' PHE . 3.2 p90 -135.89 164.17 28.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 48.0 p-10 -167.86 179.22 4.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -46.67 -35.29 5.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.482 HG11 ' CA ' ' A' ' 26' ' ' ARG . 39.2 t -69.02 -49.24 64.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.155 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 165.28 -151.47 20.29 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.515 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -117.15 153.08 33.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.893 0.378 . . . . 0.0 110.849 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -99.91 -147.54 21.51 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.468 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.528 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -98.37 127.07 37.36 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.669 0.747 . . . . 0.0 111.121 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 163.55 37.81 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.681 2.254 . . . . 0.0 112.372 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.621 HD21 ' CG2' ' A' ' 30' ' ' VAL . 12.0 mt -109.14 164.97 11.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -125.6 120.19 30.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -129.31 176.82 7.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 72.9 p -140.85 139.19 34.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -161.76 119.87 2.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.112 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.546 HG13 ' O ' ' A' ' 92' ' ' SER . 40.8 t -107.14 111.38 35.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.127 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 38.0 p -45.62 147.86 0.82 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.192 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 117' ' ' ARG . 14.0 mtp-105 -74.7 154.06 87.31 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.597 0.713 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 131.84 22.15 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.707 2.271 . . . . 0.0 112.358 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.418 ' HB2' ' CG1' ' A' ' 40' ' ' VAL . 26.9 t60 -107.74 105.16 14.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 82.3 p -86.64 169.88 12.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 81.3 p -116.15 65.04 0.7 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -162.72 163.59 35.31 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.437 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 165.91 29.41 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.66 2.24 . . . . 0.0 112.343 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 3.6 m -91.82 170.05 10.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.854 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 45.5 p -55.03 121.7 9.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.514 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -172.48 153.77 2.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.911 0.386 . . . . 0.0 110.86 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -170.68 176.45 4.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.8 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.01 161.59 25.97 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.503 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.7 p -171.31 137.5 1.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.868 0.366 . . . . 0.0 110.883 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -164.43 149.35 9.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.7 88.4 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.517 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 170.28 16.94 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.678 2.252 . . . . 0.0 112.337 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -157.22 128.37 6.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.093 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.7 t -148.35 123.46 10.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -152.68 158.75 42.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 34.3 p-90 -64.69 116.98 6.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.484 HD23 ' H ' ' A' ' 13' ' ' LEU . 2.2 pt? -123.15 133.07 54.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.943 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 13' ' ' LEU . 80.7 p 35.0 39.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.829 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -90.73 145.83 24.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.09 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -78.41 158.88 28.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.608 HG22 ' HG2' ' A' ' 19' ' ' GLU . 16.9 m -158.87 109.15 2.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -115.21 58.78 0.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.608 ' HG2' HG22 ' A' ' 17' ' ' THR . 9.4 pt-20 -132.16 41.49 3.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.4 p -77.8 -37.99 47.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -127.04 68.55 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.811 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.543 HD12 ' HA ' ' A' ' 19' ' ' GLU . 95.8 mt -144.3 154.95 43.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -88.61 115.18 25.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -129.56 36.88 4.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.2 p -108.94 -22.08 12.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.501 ' CA ' HG11 ' A' ' 104' ' ' VAL . 15.3 ptp180 -120.48 162.89 18.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.3 m -81.52 150.7 67.39 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.592 0.711 . . . . 0.0 111.145 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.481 ' HA ' HG21 ' A' ' 55' ' ' ILE . 53.6 Cg_endo -69.76 103.35 1.15 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.668 2.245 . . . . 0.0 112.325 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -54.2 164.29 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.668 HG23 ' HD2' ' A' ' 31' ' ' PRO . 5.3 p -38.34 138.78 0.7 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.662 0.744 . . . . 0.0 111.098 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.668 ' HD2' HG23 ' A' ' 30' ' ' VAL . 53.4 Cg_endo -69.79 165.7 30.12 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.662 2.241 . . . . 0.0 112.346 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.5 t -45.66 -50.35 13.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 82.0 p -172.79 -175.48 1.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.8 tp -155.18 116.54 4.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -100.63 150.25 22.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.6 m -135.58 139.96 45.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.558 ' HG3' HD12 ' A' ' 39' ' ' LEU . 10.4 tpp180 -126.28 107.57 24.23 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.605 0.717 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 127.56 14.74 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.711 2.274 . . . . 0.0 112.337 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.667 ' CD1' HG23 ' A' ' 44' ' ' VAL . 4.1 mp -123.35 154.87 38.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.526 HG12 HG23 ' A' ' 41' ' ' THR . 96.5 t -29.63 -75.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.141 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.526 HG23 HG12 ' A' ' 40' ' ' VAL . 12.7 p -116.77 26.68 9.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.14 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.509 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 5.3 p -151.75 -178.14 6.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.509 ' CG1' ' O ' ' A' ' 42' ' ' SER . 38.9 mt -160.72 108.97 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.078 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.667 HG23 ' CD1' ' A' ' 39' ' ' LEU . 3.9 t -75.2 91.75 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.1 t -82.46 100.54 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.147 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.473 ' HA ' ' CB ' ' A' ' 82' ' ' TYR . 1.3 m -104.82 134.9 47.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.55 ' CB ' HD22 ' A' ' 98' ' ' LEU . 48.8 p90 -129.53 -175.31 3.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.0 p -142.15 155.12 65.2 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.574 0.702 . . . . 0.0 111.118 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 161.39 46.1 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.7 2.267 . . . . 0.0 112.362 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 51' ' ' GLU . 54.2 Cg_endo -69.74 126.99 13.98 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.688 2.259 . . . . 0.0 112.37 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 50' ' ' PRO . 1.8 tt0 -35.5 -43.56 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -84.4 117.21 23.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 54' ' ' ASN . 14.1 mm-40 -83.58 -40.32 19.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 53' ' ' GLN . 35.1 m120 -36.83 -40.86 0.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.481 HG21 ' HA ' ' A' ' 28' ' ' PRO . 77.1 mt -66.08 131.92 31.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 94.9 t -77.62 131.71 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.147 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.483 HG11 ' CZ ' ' A' ' 60' ' ' TYR . 93.5 t -125.09 116.23 46.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.086 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.477 ' CZ ' ' OD1' ' A' ' 103' ' ' ASN . 7.2 mmt85 -82.62 -35.56 26.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 177.34 -176.25 47.97 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.483 ' CZ ' HG11 ' A' ' 57' ' ' VAL . 5.4 m-85 -132.54 141.8 48.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.874 0.369 . . . . 0.0 110.92 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -106.45 129.34 54.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.467 HD11 ' CZ3' ' A' ' 47' ' ' TRP . 20.4 mt -104.47 148.28 9.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.136 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -140.24 123.46 2.42 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.496 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.413 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 5.9 p90 -127.53 166.12 18.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.972 0.415 . . . . 0.0 110.9 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 156.4 126.98 0.98 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.565 HG13 ' CE2' ' A' ' 94' ' ' TYR . 20.4 mt -53.59 107.88 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.874 0.369 . . . . 0.0 111.109 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.67 -50.3 2.9 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.505 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 21.0 p -126.79 124.62 24.13 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.726 0.774 . . . . 0.0 110.865 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -9.49 26.23 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.673 2.249 . . . . 0.0 112.342 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 40.5 m-70 -82.91 43.13 0.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 64' ' ' TYR . . . -107.37 -45.74 4.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 21.1 mp0 -140.48 151.04 44.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.7 m -133.86 123.96 25.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 77.9 mt -121.42 107.96 21.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 55.3 mttm -98.83 118.62 35.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.926 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 34.6 m -118.28 176.53 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -68.59 173.35 5.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -76.74 -21.38 55.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.0 mttp -82.79 37.38 0.53 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -120.12 113.09 19.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.979 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -77.71 -39.38 44.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.83 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.473 ' CB ' ' HA ' ' A' ' 46' ' ' SER . 45.3 p90 -155.28 171.21 20.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -136.66 140.57 42.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.927 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 93.4 m -100.78 96.82 7.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.109 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 71.8 mt -77.53 130.9 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.157 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -126.01 -177.05 3.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 74.58 31.91 0.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.546 HD22 ' CE2' ' A' ' 94' ' ' TYR . 52.7 mt -110.62 176.89 4.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.65 139.04 29.27 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.59 0.71 . . . . 0.0 110.911 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 155.95 64.71 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.679 2.253 . . . . 0.0 112.37 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.7 t 67.31 50.48 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.81 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 23.2 t -152.36 153.6 33.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.833 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 7.6 t-160 -99.78 130.76 46.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.565 ' CE2' HG13 ' A' ' 66' ' ' ILE . 50.9 m-85 -123.83 147.65 47.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.96 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 96.1 t -113.66 104.22 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.158 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.447 ' N ' HD12 ' A' ' 96' ' ' ILE . 4.7 mp -93.31 139.06 18.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.624 HG22 ' O ' ' A' ' 110' ' ' LEU . 47.6 p -133.52 154.23 51.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.55 HD22 ' CB ' ' A' ' 47' ' ' TRP . 4.8 tp -143.13 136.05 27.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.946 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -142.73 135.54 28.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -84.57 132.53 34.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.087 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 45.6 p90 -133.48 133.09 41.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -131.67 -178.86 5.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.477 ' OD1' ' CZ ' ' A' ' 58' ' ' ARG . 77.5 m-20 -48.79 -40.57 29.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.501 HG11 ' CA ' ' A' ' 26' ' ' ARG . 35.9 t -60.96 -49.53 84.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 167.7 -158.15 30.84 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.492 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -106.31 157.29 17.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.36 . . . . 0.0 110.863 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -106.77 -145.23 12.31 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.451 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.55 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -104.83 125.34 34.07 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.625 0.726 . . . . 0.0 111.135 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 170.21 17.11 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.649 2.233 . . . . 0.0 112.357 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.624 ' O ' HG22 ' A' ' 97' ' ' THR . 53.9 mt -116.92 166.59 11.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.966 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -124.96 126.48 45.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.967 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -134.1 175.34 9.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 31.9 p -141.92 134.17 27.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -149.74 113.93 5.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.096 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 96.1 t -98.12 107.33 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 47.8 p -44.92 145.57 0.94 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.158 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 32.2 mtt180 -61.32 157.65 43.16 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.594 0.712 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.587 ' HG2' HG22 ' A' ' 120' ' ' THR . 53.5 Cg_endo -69.8 -2.72 10.68 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.676 2.251 . . . . 0.0 112.375 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.511 ' HB2' HG13 ' A' ' 40' ' ' VAL . 12.4 t60 51.24 46.6 26.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.635 HG23 ' O ' ' A' ' 120' ' ' THR . 10.0 t -117.93 103.2 9.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 63.5 p -120.09 136.64 54.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -119.89 -95.79 1.57 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 114.33 3.66 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.708 2.272 . . . . 0.0 112.336 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 32.2 t -59.85 -43.54 94.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.815 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 68.1 m -136.58 163.72 29.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.832 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.499 180.0 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.7 p -128.97 -31.07 2.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.873 0.368 . . . . 0.0 110.906 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.7 m 41.1 50.8 3.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.17 163.31 24.86 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.486 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.0 t -174.25 164.9 4.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.898 0.38 . . . . 0.0 110.884 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.7 t -136.33 179.17 6.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.91 84.08 0.19 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.45 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -179.96 3.28 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.654 2.236 . . . . 0.0 112.357 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.6 169.23 18.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.3 t -174.78 142.46 0.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.136 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -94.21 117.21 29.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 9.7 p90 -104.37 42.83 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.1 mt -85.03 29.47 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.3 m -81.68 41.92 0.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.831 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -94.2 50.47 1.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -125.95 46.53 2.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.934 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.1 p -146.57 172.46 13.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.181 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -125.58 171.31 10.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -110.14 161.54 15.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.6 t -88.47 44.53 1.21 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.413 ' O ' ' CG ' ' A' ' 21' ' ' ASP . 3.9 p-10 -112.45 42.72 1.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -94.22 172.62 8.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -122.42 92.28 3.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.667 ' O ' HG21 ' A' ' 104' ' ' VAL . 50.5 tt0 -94.14 -41.46 9.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 24' ' ' GLU . 49.4 p -37.58 -29.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.13 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 24' ' ' GLU . 4.0 ptp180 -103.3 143.12 33.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.829 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.5 m -82.37 147.03 55.53 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.566 0.698 . . . . 0.0 111.141 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 102.22 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.634 2.222 . . . . 0.0 112.336 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -52.15 -177.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.66 HG23 ' HD2' ' A' ' 31' ' ' PRO . 4.8 p -48.54 138.4 11.72 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.63 0.728 . . . . 0.0 111.085 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.66 ' HD2' HG23 ' A' ' 30' ' ' VAL . 53.9 Cg_endo -69.8 173.76 10.53 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.637 2.225 . . . . 0.0 112.367 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.6 p -57.3 -42.73 82.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.9 p -174.21 -176.12 1.1 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 tp -153.67 123.58 6.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.939 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.425 ' CG ' ' N ' ' A' ' 36' ' ' VAL . 0.2 OUTLIER -107.34 155.36 20.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 179.892 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.569 HG12 HG22 ' A' ' 45' ' ' VAL . 2.3 m -151.81 125.03 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.4 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 4.3 mmt180 -109.27 106.53 58.79 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.611 0.72 . . . . 0.0 110.828 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.648 ' HB3' ' HB1' ' A' ' 114' ' ' ALA . 53.2 Cg_endo -69.84 118.52 5.73 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.672 2.248 . . . . 0.0 112.344 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.533 HD13 HG23 ' A' ' 44' ' ' VAL . 6.5 mp -116.57 154.72 29.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.494 ' C ' ' O ' ' A' ' 39' ' ' LEU . 71.1 t -30.26 -73.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.083 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.426 HG23 HG12 ' A' ' 40' ' ' VAL . 10.5 p -116.56 25.19 10.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.126 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.481 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 0.8 OUTLIER -147.97 177.15 9.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.862 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.481 ' CG1' ' O ' ' A' ' 42' ' ' SER . 20.3 mt -160.03 105.02 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.123 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.533 HG23 HD13 ' A' ' 39' ' ' LEU . 2.1 t -73.38 94.36 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.079 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.569 HG22 HG12 ' A' ' 36' ' ' VAL . 74.9 t -87.08 99.95 9.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.437 ' HA ' ' CB ' ' A' ' 82' ' ' TYR . 8.5 t -106.51 137.43 44.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.825 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.609 ' CB ' HD22 ' A' ' 98' ' ' LEU . 49.0 p90 -133.28 -175.65 3.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -144.76 159.17 51.53 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.634 0.73 . . . . 0.0 111.134 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 157.72 59.38 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.68 2.253 . . . . 0.0 112.315 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 136.51 33.16 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.63 2.22 . . . . 0.0 112.366 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -41.83 -44.21 3.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -73.59 108.71 6.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -95.52 38.03 1.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.513 ' C ' ' ND2' ' A' ' 54' ' ' ASN . 0.1 OUTLIER -115.93 -25.25 7.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 8.0 mt -83.54 146.91 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 83.8 t -83.35 126.56 40.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.143 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 56.7 t -114.35 125.05 71.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.101 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -96.97 -21.03 17.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 162.12 -177.26 38.38 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.495 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.442 ' CD1' ' N ' ' A' ' 60' ' ' TYR . 0.6 OUTLIER -133.76 146.28 50.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.917 0.389 . . . . 0.0 110.923 -179.795 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -105.6 132.0 52.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.1 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 14.9 mt -106.67 129.38 60.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -116.51 123.3 5.79 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.5 ' CZ ' ' CB ' ' A' ' 72' ' ' GLN . 10.4 p90 -134.21 150.34 51.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.981 0.419 . . . . 0.0 110.905 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.407 ' HA3' ' HB3' ' A' ' 71' ' ' ALA . . . 166.56 153.68 7.94 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.495 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.672 HD11 ' CE1' ' A' ' 94' ' ' TYR . 17.9 mm -71.77 92.95 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.849 0.357 . . . . 0.0 111.123 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.81 -41.42 2.23 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.503 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.3 m -148.61 141.98 15.82 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.638 0.732 . . . . 0.0 110.894 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.635 ' HG3' HG21 ' A' ' 97' ' ' THR . 53.3 Cg_endo -69.78 0.55 5.5 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.636 2.224 . . . . 0.0 112.34 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.431 ' O ' ' C ' ' A' ' 71' ' ' ALA . 13.0 m170 -72.54 -36.61 68.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.868 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 70' ' ' HIS . . . -34.3 -58.43 0.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.059 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.5 ' CB ' ' CZ ' ' A' ' 64' ' ' TYR . 19.2 mt-30 -134.67 153.64 51.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 89.9 m -141.56 127.33 19.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 69.8 mt -132.14 111.22 17.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.3 pttp -111.37 127.7 55.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.6 m -111.5 -178.95 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -68.92 -173.93 0.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -84.12 -17.18 40.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.1 mmtt -88.52 38.77 0.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.912 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.427 ' O ' ' CZ2' ' A' ' 47' ' ' TRP . 45.7 mm-40 -126.76 111.03 13.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -75.12 -38.84 60.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.452 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 26.5 p90 -153.01 176.62 11.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.927 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -142.06 133.79 27.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.514 HG22 ' HG3' ' A' ' 86' ' ' GLU . 55.2 m -95.67 96.91 9.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.17 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.445 ' CG2' HD11 ' A' ' 88' ' ' LEU . 56.7 mt -79.4 97.63 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.153 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.514 ' HG3' HG22 ' A' ' 84' ' ' THR . 13.4 mt-10 -99.74 170.69 8.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 72.68 44.71 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.445 HD11 ' CG2' ' A' ' 85' ' ' ILE . 56.0 mt -112.69 162.65 15.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -85.37 116.76 66.87 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.576 0.703 . . . . 0.0 110.878 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.483 ' CB ' ' HB2' ' A' ' 119' ' ' HIS . 53.8 Cg_endo -69.77 156.32 63.63 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.698 2.265 . . . . 0.0 112.337 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.9 t 66.88 54.75 0.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.1 p -166.07 147.79 6.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -83.25 140.59 32.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.672 ' CE1' HD11 ' A' ' 66' ' ' ILE . 12.5 m-85 -131.26 134.04 46.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 88.0 t -98.42 109.6 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.17 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.418 ' N ' HD12 ' A' ' 96' ' ' ILE . 3.5 mp -96.04 138.93 20.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.642 HG22 ' O ' ' A' ' 110' ' ' LEU . 41.3 p -135.89 134.03 38.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.609 HD22 ' CB ' ' A' ' 47' ' ' TRP . 5.5 tp -124.65 141.52 52.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -150.88 140.21 21.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.27 131.94 35.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -134.07 142.97 47.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 36.8 p-10 -128.61 -174.98 3.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -50.39 -27.33 6.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.667 HG21 ' O ' ' A' ' 24' ' ' GLU . 98.1 t -79.77 -50.04 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.096 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 164.62 -166.65 38.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.517 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -107.26 166.06 10.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.865 0.364 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -109.09 -124.88 5.02 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.491 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.493 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -110.26 121.06 42.64 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.604 0.716 . . . . 0.0 111.121 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 171.18 14.98 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.707 2.272 . . . . 0.0 112.352 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.642 ' O ' HG22 ' A' ' 97' ' ' THR . 84.9 mt -110.34 178.13 4.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -136.33 129.23 31.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -139.68 178.25 7.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 60.6 p -140.48 142.29 35.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.648 ' HB1' ' HB3' ' A' ' 38' ' ' PRO . . . -156.84 117.58 3.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 99.0 t -100.14 102.3 13.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 81.9 p -46.66 132.54 10.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.41 154.67 22.15 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.606 0.717 . . . . 0.0 110.859 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 111.62 2.86 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.691 2.261 . . . . 0.0 112.34 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.483 ' HB2' ' CB ' ' A' ' 90' ' ' PRO . 26.4 t60 -73.04 -61.59 1.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 121' ' ' SER . 68.1 p -91.29 37.53 0.95 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 120' ' ' THR . 47.4 t -34.61 -48.97 0.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.819 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -165.8 172.62 41.29 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.47 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -18.54 37.23 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.716 2.278 . . . . 0.0 112.365 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 63.9 p -68.56 147.26 52.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.9 t -125.35 139.61 53.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.465 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.419 -0.272 . . . . 0.0 112.419 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.4 t -174.53 150.48 1.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 0.0 110.879 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.1 m -141.84 175.95 9.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.96 80.69 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.1 t -125.3 133.36 52.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.877 0.37 . . . . 0.0 110.867 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.1 t -165.63 159.43 16.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.852 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.49 79.54 0.34 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -3.78 12.71 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.622 2.214 . . . . 0.0 112.344 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.21 91.9 1.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.09 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.0 p -116.27 41.33 2.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -100.93 89.33 3.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 86.2 m95 -132.13 88.32 2.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.696 HD23 ' H ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -91.2 -34.73 14.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.936 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.0 m -64.1 94.5 0.11 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -108.79 92.6 4.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.07 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -125.96 142.33 51.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.2 m -107.99 110.29 21.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.479 ' O ' ' CG ' ' A' ' 18' ' ' PHE . 52.4 t80 -99.63 42.97 1.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.485 ' CG ' HD12 ' A' ' 22' ' ' LEU . 3.7 tt0 -114.83 33.8 5.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 81.0 p -82.97 -26.87 30.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -135.02 92.53 2.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.726 HD22 ' O ' ' A' ' 54' ' ' ASN . 22.0 mt -148.75 160.56 43.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -101.66 82.3 2.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.53 ' O ' HG21 ' A' ' 104' ' ' VAL . 1.8 tm-20 -92.94 -32.2 14.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.0 t -42.25 -23.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 24' ' ' GLU . 16.6 ptt180 -108.92 139.59 43.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.2 m -68.48 147.41 98.11 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.588 0.709 . . . . 0.0 111.152 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 98.05 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.707 2.271 . . . . 0.0 112.34 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -48.8 165.78 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.911 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.603 HG23 ' HD2' ' A' ' 31' ' ' PRO . 3.5 p -38.88 136.81 0.93 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.653 0.74 . . . . 0.0 111.127 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.603 ' HD2' HG23 ' A' ' 30' ' ' VAL . 54.4 Cg_endo -69.71 164.18 35.47 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.677 2.251 . . . . 0.0 112.402 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.4 p -45.04 -47.94 11.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 81.2 p -175.32 -177.19 1.0 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.848 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.436 HD22 ' HB3' ' A' ' 98' ' ' LEU . 3.5 tp -150.91 112.91 4.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 38.7 t-80 -98.3 146.05 26.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.409 HG12 HG22 ' A' ' 45' ' ' VAL . 3.3 m -136.95 136.22 47.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.102 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.77 110.29 40.48 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.609 0.719 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.4 ' HB2' ' O ' ' A' ' 115' ' ' VAL . 53.2 Cg_endo -69.78 121.78 8.46 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.688 2.259 . . . . 0.0 112.325 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.517 ' O ' ' C ' ' A' ' 40' ' ' VAL . 2.5 mp -114.38 154.9 27.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.669 HG12 HG23 ' A' ' 41' ' ' THR . 97.7 t -27.49 -69.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.669 HG23 HG12 ' A' ' 40' ' ' VAL . 40.5 p -119.2 0.44 11.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.486 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 4.2 p -120.28 -177.87 3.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.486 ' CG1' ' O ' ' A' ' 42' ' ' SER . 39.3 mt -159.91 105.01 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.127 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.465 HG23 HD13 ' A' ' 39' ' ' LEU . 85.0 t -71.92 113.89 9.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.419 HG13 HD11 ' A' ' 34' ' ' LEU . 96.9 t -107.3 100.84 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.147 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 t -106.72 128.54 54.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.641 ' CZ3' HD11 ' A' ' 62' ' ' ILE . 47.8 p90 -126.15 178.01 6.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 40.0 p -142.15 153.28 63.19 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.599 0.714 . . . . 0.0 111.104 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 160.21 50.56 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.689 2.26 . . . . 0.0 112.35 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 133.36 25.38 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.65 2.233 . . . . 0.0 112.314 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -38.56 -39.47 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.463 ' HB3' HD12 ' A' ' 55' ' ' ILE . 15.8 t-20 -78.54 62.43 3.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -45.52 -29.23 1.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.726 ' O ' HD22 ' A' ' 22' ' ' LEU . 29.6 m-80 -46.45 -36.45 6.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.463 HD12 ' HB3' ' A' ' 52' ' ' ASN . 35.7 mt -74.28 121.67 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.405 ' CG2' ' HB2' ' A' ' 24' ' ' GLU . 54.7 t -59.88 146.74 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 94.5 t -136.3 112.02 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.151 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.0 mmt85 -77.69 -42.32 34.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 179.35 -177.02 48.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.504 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -127.7 173.23 10.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.895 0.378 . . . . 0.0 110.944 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.633 ' HB2' ' HD3' ' A' ' 75' ' ' LYS . . . -132.28 112.01 11.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.083 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.641 HD11 ' CZ3' ' A' ' 47' ' ' TRP . 30.5 mt -96.55 123.44 48.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -120.86 127.61 7.07 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.474 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.633 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 2.9 p90 -121.15 160.62 23.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.883 0.373 . . . . 0.0 110.989 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 163.78 121.64 0.57 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.469 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 66.6 mt -47.77 122.47 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 0.0 111.154 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.21 -45.8 2.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.462 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.584 ' HB2' ' CE1' ' A' ' 70' ' ' HIS . 23.2 m -138.89 130.55 15.36 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.671 0.748 . . . . 0.0 110.831 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 0.29 5.89 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.692 2.261 . . . . 0.0 112.324 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.584 ' CE1' ' HB2' ' A' ' 68' ' ' SER . 0.0 OUTLIER -81.6 49.09 1.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.633 ' HB3' ' O ' ' A' ' 64' ' ' TYR . . . -115.92 -55.1 2.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.057 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -139.01 166.99 23.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.0 m -141.98 136.38 30.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.12 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.58 HD13 ' CE1' ' A' ' 83' ' ' TYR . 87.6 mt -125.9 114.87 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.088 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.633 ' HD3' ' HB2' ' A' ' 61' ' ' ALA . 32.6 mmtt -101.29 116.69 33.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 31.5 m -118.87 167.88 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -78.28 165.99 23.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.804 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.531 ' CE2' ' HG3' ' A' ' 79' ' ' LYS . 27.7 p90 -57.87 -46.15 85.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.531 ' HG3' ' CE2' ' A' ' 78' ' ' TYR . 22.8 mttm -44.34 -47.14 9.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.855 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -53.25 112.16 0.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.93 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.69 -39.33 27.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.864 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.454 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 53.3 p90 -143.11 175.35 9.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.58 ' CE1' HD13 ' A' ' 74' ' ' ILE . 27.4 t80 -139.32 131.52 28.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 91.5 m -98.38 93.15 6.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.141 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 53.3 mt -71.8 114.91 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -112.72 172.45 6.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 69.98 48.53 0.54 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 16.6 mt -117.96 170.55 8.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -95.56 119.95 64.37 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.592 0.711 . . . . 0.0 110.854 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 152.9 69.65 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.657 2.238 . . . . 0.0 112.351 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.1 t 69.64 47.27 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.7 t -157.26 146.35 19.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.539 ' CE1' HG22 ' A' ' 95' ' ' VAL . 1.7 t60 -79.59 136.12 36.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.828 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.405 ' O ' HD12 ' A' ' 96' ' ' ILE . 19.9 m-85 -130.01 118.1 21.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.539 HG22 ' CE1' ' A' ' 93' ' ' HIS . 44.7 t -87.73 115.23 27.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.161 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.563 ' N ' HD12 ' A' ' 96' ' ' ILE . 3.2 mp -103.59 140.26 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.701 HG22 ' O ' ' A' ' 110' ' ' LEU . 22.1 p -127.59 155.81 43.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.517 HD22 ' CB ' ' A' ' 47' ' ' TRP . 5.6 tp -145.08 129.93 18.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.922 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.1 ptpp? -134.03 130.5 37.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -84.75 121.41 27.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.474 ' CB ' ' HA ' ' A' ' 106' ' ' GLU . 7.1 p90 -123.56 164.73 18.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 39.1 p-10 -152.09 -176.9 5.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -54.08 -32.36 54.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.53 HG21 ' O ' ' A' ' 24' ' ' GLU . 83.9 t -72.53 -49.56 40.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 174.78 -177.43 46.87 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.506 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.474 ' HA ' ' CB ' ' A' ' 101' ' ' PHE . 9.6 mp0 -86.58 166.34 15.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.883 0.373 . . . . 0.0 110.86 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -114.13 -158.08 12.37 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 3.7 mm -89.15 124.31 65.16 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.599 0.714 . . . . 0.0 111.13 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.411 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 53.3 Cg_endo -69.83 167.64 23.94 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.71 2.273 . . . . 0.0 112.308 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.701 ' O ' HG22 ' A' ' 97' ' ' THR . 26.5 mt -118.89 156.46 29.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -115.53 125.09 52.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -137.29 175.32 9.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 72.8 m -142.07 142.25 32.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.815 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -153.01 112.16 3.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.093 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.4 ' O ' ' HB2' ' A' ' 38' ' ' PRO . 65.1 t -97.24 114.37 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.18 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 17.7 p -57.36 143.81 38.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 29.9 mtp180 -71.16 156.94 91.21 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.607 0.717 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 96.18 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.694 2.263 . . . . 0.0 112.351 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -39.67 124.83 1.73 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.827 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 74.1 p -86.88 133.41 33.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.103 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 61.1 p -92.62 -49.88 5.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 159.84 -176.86 36.52 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.463 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 172.79 12.04 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.695 2.264 . . . . 0.0 112.306 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 73.5 p -94.56 136.98 34.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 77.8 p -133.47 167.03 21.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.838 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.492 -179.955 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.4 m -104.44 -61.9 1.39 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.887 0.375 . . . . 0.0 110.898 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.8 m -98.34 176.49 5.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.84 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.63 110.31 0.4 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.474 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.0 t -115.19 -62.64 1.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.873 0.368 . . . . 0.0 110.886 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.5 m 44.13 42.58 5.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.53 80.17 0.27 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.541 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 175.13 8.52 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.7 2.267 . . . . 0.0 112.323 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -172.35 123.71 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.8 t -170.32 145.64 2.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -150.45 132.32 15.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.767 ' C ' HD23 ' A' ' 13' ' ' LEU . 99.1 m95 -117.99 -54.63 2.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.767 HD23 ' C ' ' A' ' 12' ' ' TRP . 1.3 pt? 36.64 44.29 0.32 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 66.3 m -48.56 97.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -172.78 135.82 0.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.117 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -104.17 75.88 1.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 44.8 p 42.93 39.4 1.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -51.15 -68.95 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.582 ' O ' HD23 ' A' ' 22' ' ' LEU . 6.2 tt0 -170.35 125.11 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.7 t -84.13 34.32 0.51 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -127.55 24.18 6.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.582 HD23 ' O ' ' A' ' 19' ' ' GLU . 4.5 mm? -94.72 170.06 9.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -129.29 126.6 39.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -121.56 27.92 7.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.9 t -99.99 -22.74 15.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.173 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.913 ' NH2' HD22 ' A' ' 54' ' ' ASN . 37.7 ptt180 -121.64 157.11 31.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.7 m -83.55 146.69 50.72 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.657 0.741 . . . . 0.0 111.117 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.439 ' HA ' HG21 ' A' ' 55' ' ' ILE . 53.2 Cg_endo -69.83 104.04 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.307 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -49.91 -178.8 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.649 HG23 ' HD2' ' A' ' 31' ' ' PRO . 4.4 p -47.25 138.64 7.99 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.678 0.752 . . . . 0.0 111.102 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.649 ' HD2' HG23 ' A' ' 30' ' ' VAL . 53.7 Cg_endo -69.79 167.95 23.01 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.619 2.212 . . . . 0.0 112.315 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.6 m -48.01 -53.29 16.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.852 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 t -170.2 -177.82 2.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.461 HD22 ' HB3' ' A' ' 98' ' ' LEU . 5.0 tp -153.82 114.79 4.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -106.28 140.08 39.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.829 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.577 HG12 HG13 ' A' ' 45' ' ' VAL . 29.5 m -132.51 134.13 59.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.457 ' O ' HD12 ' A' ' 39' ' ' LEU . 16.8 ttm-85 -116.99 108.71 43.79 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.622 0.725 . . . . 0.0 110.84 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.543 ' HB3' ' HB1' ' A' ' 114' ' ' ALA . 54.0 Cg_endo -69.76 126.45 13.32 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.643 2.229 . . . . 0.0 112.391 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.518 HD13 HG23 ' A' ' 44' ' ' VAL . 3.3 mp -119.98 154.4 34.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.929 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.612 HG12 HG23 ' A' ' 41' ' ' THR . 59.5 t -31.49 -74.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.612 HG23 HG12 ' A' ' 40' ' ' VAL . 47.7 p -115.02 25.77 10.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.424 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 9.5 p -150.0 179.55 7.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.816 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.424 ' CG1' ' O ' ' A' ' 42' ' ' SER . 54.9 mt -158.24 108.68 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.127 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.518 HG23 HD13 ' A' ' 39' ' ' LEU . 89.9 t -81.72 95.32 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.577 HG13 HG12 ' A' ' 36' ' ' VAL . 83.1 t -88.91 100.13 10.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.1 t -104.88 127.84 52.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.824 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.663 ' CB ' HD22 ' A' ' 98' ' ' LEU . 49.3 p90 -123.14 -175.02 3.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.1 p -142.8 157.69 61.04 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.547 0.689 . . . . 0.0 111.154 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 160.1 50.95 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.68 2.253 . . . . 0.0 112.345 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 51' ' ' GLU . 54.1 Cg_endo -69.73 123.99 10.65 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.725 2.284 . . . . 0.0 112.323 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 50' ' ' PRO . 5.9 mt-10 -34.22 -39.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.408 ' CG ' ' OD1' ' A' ' 54' ' ' ASN . 6.4 t-20 -88.42 126.9 35.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.501 ' O ' ' N ' ' A' ' 55' ' ' ILE . 1.3 mp0 -97.12 -35.97 10.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.913 HD22 ' NH2' ' A' ' 26' ' ' ARG . 15.5 p-10 -37.6 -27.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.962 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.501 ' N ' ' O ' ' A' ' 53' ' ' GLN . 92.4 mt -80.11 136.99 22.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.114 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.476 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 76.7 t -81.2 112.7 19.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.155 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.479 HG11 ' CZ ' ' A' ' 60' ' ' TYR . 98.5 t -104.18 129.47 56.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -100.73 -45.45 5.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -171.36 171.54 44.04 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.516 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.479 ' CZ ' HG11 ' A' ' 57' ' ' VAL . 12.8 m-85 -122.73 164.37 18.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.92 0.39 . . . . 0.0 110.927 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -120.68 142.45 49.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.07 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 14.3 mt -121.81 105.03 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -105.44 125.36 8.24 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -126.16 164.44 20.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.945 0.402 . . . . 0.0 110.892 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 152.26 131.86 1.75 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.873 HD11 ' CZ ' ' A' ' 94' ' ' TYR . 5.1 mp -62.49 136.1 26.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.869 0.366 . . . . 0.0 111.156 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 81.04 -44.43 3.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.469 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.7 m -158.14 139.24 9.53 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.69 0.757 . . . . 0.0 110.862 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 0.18 5.99 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.651 2.234 . . . . 0.0 112.383 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -82.3 42.92 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -118.77 -67.61 0.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.425 ' NE2' ' HA ' ' A' ' 72' ' ' GLN . 5.4 mm-40 -131.47 146.24 52.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.5 t -142.61 153.05 43.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 31.2 mt -139.03 117.9 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.169 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 52.5 mttm -99.27 120.31 39.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 28.2 m -125.37 166.04 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -57.66 167.57 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -70.79 -44.83 65.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.4 mttp -40.7 -43.31 1.93 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.893 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -52.32 116.08 2.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.9 tmm_? -82.59 -39.22 22.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.408 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 25.5 p90 -143.46 167.78 21.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -138.67 126.38 22.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 89.6 m -101.65 105.49 16.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.161 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.5 ' HB ' HD11 ' A' ' 88' ' ' LEU . 41.1 mt -81.02 134.82 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.454 ' O ' ' CG ' ' A' ' 87' ' ' ASN . 43.6 mt-10 -117.4 -174.8 2.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.454 ' CG ' ' O ' ' A' ' 86' ' ' GLU . 0.5 OUTLIER 48.52 49.01 18.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.5 HD11 ' HB ' ' A' ' 85' ' ' ILE . 53.1 mt -109.51 179.41 4.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -111.12 122.67 37.22 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.522 0.677 . . . . 0.0 110.884 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -179.53 2.96 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.673 2.249 . . . . 0.0 112.369 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.2 p 42.46 40.56 1.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.8 m -144.33 133.52 22.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.863 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -80.1 123.19 27.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.873 ' CZ ' HD11 ' A' ' 66' ' ' ILE . 22.6 m-85 -114.41 129.54 56.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 59.4 t -98.12 107.66 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.11 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.649 ' N ' HD12 ' A' ' 96' ' ' ILE . 2.9 mp -93.82 140.87 15.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.72 HG22 ' O ' ' A' ' 110' ' ' LEU . 21.2 p -134.51 127.63 31.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.138 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.663 HD22 ' CB ' ' A' ' 47' ' ' TRP . 7.1 tp -118.06 140.94 49.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -146.43 137.16 24.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.35 130.16 34.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.131 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -138.76 141.91 38.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 56' ' ' VAL . 35.2 p-10 -126.54 -175.08 3.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -44.48 -28.32 0.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 10.6 t -77.86 -50.03 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.136 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 160.56 -173.12 37.07 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.5 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -96.32 161.99 13.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.898 0.38 . . . . 0.0 110.879 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -108.62 -123.93 4.92 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.454 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.5 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -107.81 121.43 44.06 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.636 0.731 . . . . 0.0 111.143 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 170.78 15.78 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.707 2.272 . . . . 0.0 112.341 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.72 ' O ' HG22 ' A' ' 97' ' ' THR . 23.4 mt -112.19 171.66 7.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -128.0 118.92 24.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -127.22 -179.22 4.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.851 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 52.7 p -142.0 150.0 40.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.817 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.543 ' HB1' ' HB3' ' A' ' 38' ' ' PRO . . . -161.4 111.01 1.61 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.115 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 92.9 t -100.46 107.58 21.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.117 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 37.3 p -64.02 128.76 37.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -61.54 154.96 62.24 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.624 0.726 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 118.38 5.65 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.657 2.238 . . . . 0.0 112.39 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -64.26 88.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.816 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 66.6 p -110.29 99.42 8.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 51.1 m 50.99 42.1 28.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 42.74 -154.86 0.15 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.534 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 2.55 3.44 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.715 2.277 . . . . 0.0 112.348 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 32.6 t -90.55 117.3 29.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 126' ' ' GLY . 1.3 t -111.89 146.49 37.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.854 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 125' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.501 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.5 m -51.2 -47.52 62.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.9 0.381 . . . . 0.0 110.834 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t -106.89 161.9 14.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.822 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.38 -94.89 0.13 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.444 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.4 m 61.81 41.37 11.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.821 0.343 . . . . 0.0 110.841 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.8 p -160.81 144.52 13.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.825 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.0 -154.63 12.7 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 152.32 69.2 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.7 2.267 . . . . 0.0 112.331 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -112.12 147.46 36.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.081 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 43.1 m -69.59 136.78 51.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -131.29 141.78 50.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 8.1 p-90 -133.35 151.45 51.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.632 HD23 ' H ' ' A' ' 13' ' ' LEU . 2.7 pt? -130.58 177.23 7.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 t -111.32 173.0 6.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.12 -62.61 0.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.121 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -82.28 98.78 8.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 58.0 p -146.77 116.1 7.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.117 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -83.01 170.65 14.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 21' ' ' ASP . 70.0 mm-40 -69.84 130.79 43.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 19' ' ' GLU . 27.1 t 36.28 31.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 19' ' ' GLU . 11.9 m-20 62.13 53.03 3.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 21.0 mt -41.35 155.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.441 ' O ' HG23 ' A' ' 56' ' ' VAL . 11.7 t0 -95.36 114.72 26.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.821 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -123.45 34.2 5.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.1 t -108.44 -11.63 15.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.3 ptt180 -138.56 155.6 48.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.827 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.441 HG12 ' N ' ' A' ' 105' ' ' GLY . 13.6 m -79.38 144.51 62.04 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.654 0.74 . . . . 0.0 111.16 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.448 ' HD3' ' CG ' ' A' ' 102' ' ' ASN . 53.9 Cg_endo -69.72 100.69 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.717 2.278 . . . . 0.0 112.338 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -50.73 174.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.713 ' CG2' HD21 ' A' ' 110' ' ' LEU . 3.6 p -40.99 137.44 1.48 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.643 0.735 . . . . 0.0 111.099 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.606 ' HD2' HG23 ' A' ' 30' ' ' VAL . 53.7 Cg_endo -69.81 172.4 12.75 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.626 2.217 . . . . 0.0 112.335 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.9 t -49.35 -47.84 47.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 74.9 p -174.59 -176.04 1.01 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.875 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.606 HD23 ' OE1' ' A' ' 112' ' ' GLU . 4.5 tp -154.56 114.29 3.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -106.04 147.58 28.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.463 HG12 HG13 ' A' ' 45' ' ' VAL . 26.2 m -137.01 139.13 44.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.578 ' O ' HD12 ' A' ' 39' ' ' LEU . 23.5 mtt-85 -116.4 107.85 46.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.611 0.72 . . . . 0.0 110.859 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.526 ' HB3' ' HB1' ' A' ' 114' ' ' ALA . 53.6 Cg_endo -69.73 123.43 10.1 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.739 2.293 . . . . 0.0 112.313 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.578 HD12 ' O ' ' A' ' 37' ' ' ARG . 6.1 mp -118.88 154.54 32.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.751 HG12 HG23 ' A' ' 41' ' ' THR . 99.9 t -29.81 -73.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.751 HG23 HG12 ' A' ' 40' ' ' VAL . 76.1 p -117.28 25.34 10.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.166 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.451 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 2.9 t -148.5 179.64 7.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.814 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.454 HG13 ' CD1' ' A' ' 88' ' ' LEU . 53.7 mt -158.82 107.01 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.103 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 75.8 t -78.0 92.52 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.463 HG13 HG12 ' A' ' 36' ' ' VAL . 62.5 t -82.91 104.06 11.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.13 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 73.8 p -108.12 124.36 50.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.554 ' CZ3' HD11 ' A' ' 62' ' ' ILE . 48.6 p90 -121.2 175.17 6.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.0 p -133.13 156.89 79.5 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.565 0.697 . . . . 0.0 111.122 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 160.28 50.28 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.663 2.242 . . . . 0.0 112.35 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 51' ' ' GLU . 54.0 Cg_endo -69.71 124.56 11.23 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.67 2.247 . . . . 0.0 112.382 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 50' ' ' PRO . 9.2 mt-10 -36.14 -37.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 31.8 t-20 -89.48 94.36 9.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.923 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 54' ' ' ASN . 18.4 mm100 -69.07 -40.4 78.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 53' ' ' GLN . 31.2 m120 -36.37 -40.16 0.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 73.8 mt -69.5 139.05 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.133 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 23' ' ' ASP . 73.4 t -74.24 136.46 25.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 65.4 t -134.83 115.48 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.114 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -83.59 -46.72 12.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.811 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -171.38 -168.07 32.49 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.438 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.413 ' CB ' HD11 ' A' ' 98' ' ' LEU . 4.6 m-85 -138.62 144.63 39.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.877 0.37 . . . . 0.0 110.96 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -102.88 117.67 35.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.112 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.554 HD11 ' CZ3' ' A' ' 47' ' ' TRP . 54.0 mt -94.48 126.94 46.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -118.16 119.56 4.43 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.519 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.462 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 40.4 p90 -128.88 150.81 50.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.964 0.411 . . . . 0.0 110.903 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 163.65 134.97 1.73 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.478 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.545 HG13 ' CE2' ' A' ' 94' ' ' TYR . 55.5 mt -57.48 120.14 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.867 0.365 . . . . 0.0 111.137 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.01 -53.44 3.95 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.493 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 44.3 m -140.19 139.19 20.45 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.654 0.74 . . . . 0.0 110.847 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.66 0.69 5.21 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.679 2.253 . . . . 0.0 112.392 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 3.6 m80 -83.57 42.45 0.84 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 64' ' ' TYR . . . -108.59 -52.15 2.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.089 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -149.88 148.13 28.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 66.0 m -130.96 132.98 45.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.177 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.463 HD13 ' CZ ' ' A' ' 83' ' ' TYR . 78.5 mt -120.16 110.07 27.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -90.34 125.97 35.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 18.6 m -136.72 154.99 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -60.78 164.31 4.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.446 ' O ' ' C ' ' A' ' 79' ' ' LYS . 35.1 p90 -58.71 -49.9 75.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.957 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 78' ' ' TYR . 34.9 mmtm -34.1 -49.14 0.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 53.4 mm-40 -49.42 116.99 1.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.14 -37.1 17.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.444 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 25.1 p90 -146.93 169.57 18.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.463 ' CZ ' HD13 ' A' ' 74' ' ' ILE . 31.4 t80 -140.95 129.89 23.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.908 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 85.9 m -94.0 98.98 11.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.119 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 49.3 mt -77.61 100.32 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.127 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -95.62 175.96 6.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.936 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 67.75 48.38 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.454 ' CD1' HG13 ' A' ' 43' ' ' ILE . 19.6 mt -117.81 165.85 13.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -91.11 124.13 62.54 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.639 0.733 . . . . 0.0 110.864 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 144.29 53.69 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.69 2.26 . . . . 0.0 112.335 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t 69.51 44.12 0.94 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.7 m -142.01 142.12 32.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.824 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -79.72 132.81 36.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.84 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.545 ' CE2' HG13 ' A' ' 66' ' ' ILE . 34.4 m-85 -130.49 131.9 45.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 95.4 t -98.86 105.0 16.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.092 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 5.1 mp -91.54 139.2 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.604 HG22 ' O ' ' A' ' 110' ' ' LEU . 53.8 p -131.42 158.34 41.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.564 ' HB3' HD22 ' A' ' 34' ' ' LEU . 5.0 tp -150.79 132.63 15.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -135.99 131.51 35.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -84.76 124.51 31.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 43.2 p90 -134.09 146.67 50.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.448 ' CG ' ' HD3' ' A' ' 28' ' ' PRO . 52.5 p-10 -134.69 -174.74 3.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -48.46 -24.41 1.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 23.2 t -80.11 -50.11 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.441 ' N ' HG12 ' A' ' 27' ' ' VAL . . . 167.35 -169.13 40.89 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.477 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -108.06 145.07 34.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.891 0.377 . . . . 0.0 110.884 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -91.12 -134.76 6.18 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.498 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.55 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -105.67 128.27 26.83 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.645 0.736 . . . . 0.0 111.098 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.412 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 54.6 Cg_endo -69.72 173.25 11.2 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.68 2.254 . . . . 0.0 112.349 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.713 HD21 ' CG2' ' A' ' 30' ' ' VAL . 73.0 mt -117.63 159.66 22.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.451 ' C ' ' OE1' ' A' ' 112' ' ' GLU . 6.2 m-85 -117.07 121.94 42.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.606 ' OE1' HD23 ' A' ' 34' ' ' LEU . 0.5 OUTLIER -125.67 172.2 9.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 54.9 p -142.07 134.91 28.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.885 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.526 ' HB1' ' HB3' ' A' ' 38' ' ' PRO . . . -161.38 121.58 2.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.083 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 95.4 t -103.58 105.45 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 27.6 p -45.42 136.66 5.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.179 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -67.02 154.22 92.95 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.602 0.715 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 130.7 19.79 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.725 2.283 . . . . 0.0 112.301 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 18.1 t-80 -65.67 141.56 58.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.831 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 76.3 p -123.26 169.2 11.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.168 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.1 m -129.16 130.35 46.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -70.8 119.26 8.1 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.494 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 137.18 34.63 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.66 2.24 . . . . 0.0 112.364 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.4 t -80.76 155.32 26.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 84.7 p -39.52 -46.64 1.76 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.435 179.978 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.6 m -156.61 147.17 21.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.848 0.356 . . . . 0.0 110.846 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -156.93 150.8 24.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.33 -177.08 40.27 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.511 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.4 p -149.54 153.18 36.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.899 0.38 . . . . 0.0 110.89 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.6 m -98.01 166.08 11.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.53 136.0 4.98 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.517 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 160.79 48.4 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.691 2.261 . . . . 0.0 112.353 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -47.94 156.69 0.33 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.071 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.3 t -128.93 134.0 48.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -107.94 -55.72 2.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 49.3 m95 -127.01 118.05 23.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.6 mp -53.13 117.11 2.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 t -40.81 142.21 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -94.67 39.94 1.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.091 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -41.46 104.99 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.6 p -58.89 122.59 14.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.16 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -91.93 112.99 25.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -63.97 149.88 46.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 t -88.21 44.27 1.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -109.13 33.98 3.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -106.58 166.12 10.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -69.5 115.95 9.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -125.03 37.44 4.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.2 t -117.59 -10.66 10.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.145 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -127.5 151.97 48.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.1 m -86.79 146.41 41.04 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.633 0.73 . . . . 0.0 111.132 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 107.36 1.83 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.692 2.261 . . . . 0.0 112.372 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 30' ' ' VAL . 1.8 pp20? -62.7 168.07 4.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.836 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.824 ' CG2' HD21 ' A' ' 110' ' ' LEU . 2.9 p -34.86 136.15 0.4 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.583 0.706 . . . . 0.0 111.133 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.713 ' HG2' HD11 ' A' ' 110' ' ' LEU . 54.0 Cg_endo -69.7 -179.2 2.72 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.681 2.254 . . . . 0.0 112.384 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.7 p -61.56 -43.63 98.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.843 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.7 m -174.98 -178.42 1.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.41 ' CD2' ' HB2' ' A' ' 112' ' ' GLU . 2.7 tp -147.44 116.23 6.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.932 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -105.75 137.01 44.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.494 ' CG2' ' HG3' ' A' ' 112' ' ' GLU . 3.6 m -134.95 129.82 51.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -111.04 110.52 56.65 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.586 0.708 . . . . 0.0 110.827 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 122.31 8.98 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.646 2.231 . . . . 0.0 112.347 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.458 ' O ' ' C ' ' A' ' 40' ' ' VAL . 3.3 mp -115.88 154.16 30.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.568 HG12 HG23 ' A' ' 41' ' ' THR . 66.1 t -33.03 -75.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.114 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.568 HG23 HG12 ' A' ' 40' ' ' VAL . 34.8 p -113.08 25.04 11.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.133 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.5 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 12.9 p -150.9 -178.39 6.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.5 ' CG1' ' O ' ' A' ' 42' ' ' SER . 21.9 mt -160.58 106.8 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.145 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.456 HG23 HD13 ' A' ' 39' ' ' LEU . 97.0 t -76.27 100.4 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.416 HG13 HG12 ' A' ' 36' ' ' VAL . 45.0 t -92.18 100.37 11.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.138 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -106.17 124.31 49.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.597 ' CB ' HD22 ' A' ' 98' ' ' LEU . 47.8 p90 -120.77 -178.54 3.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.884 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -143.77 153.7 58.14 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.545 0.688 . . . . 0.0 111.153 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 158.18 57.75 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.669 2.246 . . . . 0.0 112.324 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 144.11 53.07 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.708 2.272 . . . . 0.0 112.324 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -41.52 -40.7 1.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -75.26 100.02 4.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -88.32 25.33 1.67 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -110.16 -22.08 11.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 73.1 mt -76.55 125.94 36.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.9 t -66.19 112.65 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 45.9 t -112.43 117.98 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.11 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -83.5 -24.44 31.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 165.26 -171.11 40.49 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.512 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -132.12 157.93 42.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.904 0.383 . . . . 0.0 110.887 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.4 107.43 13.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.122 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.457 HD11 ' CZ3' ' A' ' 47' ' ' TRP . 12.3 mt -89.36 155.84 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.443 ' N ' HG22 ' A' ' 62' ' ' ILE . . . -145.94 139.85 8.48 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.521 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.443 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 55.1 p90 -139.48 154.89 47.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.968 0.414 . . . . 0.0 110.906 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 164.98 160.26 12.2 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.586 HD11 ' CZ ' ' A' ' 94' ' ' TYR . 43.6 mm -81.41 102.48 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.819 0.342 . . . . 0.0 111.136 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.55 -41.13 2.21 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.511 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.2 t -148.12 137.99 12.52 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.653 0.74 . . . . 0.0 110.862 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.584 ' HG3' HG21 ' A' ' 97' ' ' THR . 53.6 Cg_endo -69.79 -15.4 36.95 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.728 2.285 . . . . 0.0 112.33 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -55.75 -19.93 12.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 64' ' ' TYR . . . -48.07 -64.7 0.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.099 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -132.92 153.46 51.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 63.8 m -139.79 129.82 24.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 77.8 mt -121.37 124.5 72.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.162 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.4 mttp -112.15 129.35 56.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 24.5 m -132.91 172.89 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.091 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -65.22 175.94 1.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.522 ' CE1' ' HG3' ' A' ' 79' ' ' LYS . 39.5 p90 -77.32 -39.85 46.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.522 ' HG3' ' CE1' ' A' ' 78' ' ' TYR . 52.2 mttt -44.45 -37.12 3.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.945 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -68.12 125.02 25.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.918 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.91 -11.7 16.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.455 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 4.1 p90 -155.87 158.86 38.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.943 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -138.87 128.79 25.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.942 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 80.1 m -94.29 100.89 12.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.158 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 44.3 mt -79.31 130.92 35.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -124.28 171.95 9.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 69.81 51.68 0.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 13.4 mt -120.36 175.43 5.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.938 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -100.85 122.65 48.27 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.657 0.741 . . . . 0.0 110.849 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 155.24 66.39 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.646 2.231 . . . . 0.0 112.344 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 27.1 t 60.5 51.76 5.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.814 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.4 m -153.78 144.64 22.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -81.4 131.06 35.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.586 ' CZ ' HD11 ' A' ' 66' ' ' ILE . 26.3 m-85 -126.25 130.93 51.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 83.7 t -94.16 111.37 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.136 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.445 HG21 HG11 ' A' ' 36' ' ' VAL . 3.0 mp -99.33 142.47 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.173 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.584 HG21 ' HG3' ' A' ' 69' ' ' PRO . 72.9 p -138.25 152.87 48.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.597 HD22 ' CB ' ' A' ' 47' ' ' TRP . 5.5 tp -143.18 137.22 28.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -140.53 140.07 35.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -85.51 136.58 33.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.066 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.487 ' C ' ' CD1' ' A' ' 101' ' ' PHE . 4.3 p90 -134.16 167.34 20.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 29.2 p-10 -170.73 177.47 3.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -49.94 -26.89 4.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 61.6 t -75.86 -43.83 39.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.081 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 160.92 -155.58 26.78 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.472 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -114.09 159.01 20.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.906 0.384 . . . . 0.0 110.874 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -106.77 -146.01 12.97 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.495 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -103.39 123.98 39.72 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.641 0.734 . . . . 0.0 111.102 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 163.7 37.31 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.671 2.248 . . . . 0.0 112.328 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.824 HD21 ' CG2' ' A' ' 30' ' ' VAL . 27.0 mt -111.64 163.65 13.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -118.58 108.15 14.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.494 ' HG3' ' CG2' ' A' ' 36' ' ' VAL . 4.9 tp10 -114.97 175.36 5.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 79.2 p -138.97 148.74 43.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.848 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -164.61 111.16 1.02 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.055 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 42.3 t -93.63 106.6 18.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 26.0 p -53.09 136.56 35.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.197 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 74.4 mtt-85 -66.57 148.97 98.49 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.591 0.71 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 129.18 17.22 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.733 2.289 . . . . 0.0 112.345 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -75.39 78.74 2.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 13.4 t -96.93 -37.49 10.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 46.5 t -86.65 166.14 15.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.867 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -159.67 -156.42 8.11 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.453 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -4.31 13.8 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.729 2.286 . . . . 0.0 112.33 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.0 t -65.98 118.66 10.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.829 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 9.0 t -172.16 133.05 0.67 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.847 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.506 -179.935 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.2 p -149.14 175.24 11.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.86 0.362 . . . . 0.0 110.84 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 m -146.13 170.96 15.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.95 -162.14 11.71 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.8 p -167.11 174.9 7.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.855 0.359 . . . . 0.0 110.873 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m -135.91 171.51 14.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.05 97.92 0.22 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.513 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -174.7 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.689 2.259 . . . . 0.0 112.358 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -86.24 88.44 7.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 43.4 p -142.12 112.5 7.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.088 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.407 ' OD1' ' CD1' ' A' ' 12' ' ' TRP . 9.8 t70 -117.4 -45.56 2.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.84 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.407 ' CD1' ' OD1' ' A' ' 11' ' ' ASP . 1.9 m-90 -116.9 102.69 9.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.421 ' N ' HD12 ' A' ' 13' ' ' LEU . 8.4 mp -72.1 -61.94 1.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.4 m -166.6 145.25 5.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -128.57 81.7 2.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.08 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -123.74 42.14 3.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.9 t -161.01 162.28 31.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -76.05 98.57 4.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -55.31 146.34 19.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.1 t -83.14 49.19 1.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -106.86 -47.48 3.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.6 mt -52.84 176.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -73.87 97.52 2.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.403 ' O ' ' CG2' ' A' ' 104' ' ' VAL . 9.1 tt0 -121.86 30.84 6.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.2 t -107.03 -18.99 13.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.178 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.0 ptt180 -125.98 147.69 49.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.505 HG12 ' N ' ' A' ' 105' ' ' GLY . 11.3 m -76.61 142.75 70.85 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.663 0.744 . . . . 0.0 111.104 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 102.91 1.07 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.673 2.249 . . . . 0.0 112.343 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 30' ' ' VAL . 2.4 pt-20 -58.95 176.12 0.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.852 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.508 HG23 ' HD2' ' A' ' 31' ' ' PRO . 2.6 p -34.98 134.47 0.43 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.66 0.743 . . . . 0.0 111.106 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.593 ' HG2' HD11 ' A' ' 110' ' ' LEU . 54.2 Cg_endo -69.74 179.32 3.77 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.702 2.268 . . . . 0.0 112.379 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.3 m -52.82 -48.34 67.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.832 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 74.6 p -174.46 -175.06 0.91 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.58 ' HB3' HD13 ' A' ' 110' ' ' LEU . 3.1 tp -150.87 124.92 9.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.935 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -112.95 139.29 48.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.7 m -135.47 141.4 42.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.163 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.1 ttm180 -122.13 109.95 33.14 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.578 0.704 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.619 ' HB3' ' HB1' ' A' ' 114' ' ' ALA . 53.6 Cg_endo -69.78 114.81 3.83 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.67 2.246 . . . . 0.0 112.365 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.485 ' O ' ' C ' ' A' ' 40' ' ' VAL . 6.1 mp -109.02 154.52 22.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.768 HG12 HG23 ' A' ' 41' ' ' THR . 85.8 t -30.57 -75.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.768 HG23 HG12 ' A' ' 40' ' ' VAL . 73.9 p -114.6 25.53 10.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.487 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 0.5 OUTLIER -151.75 -178.04 6.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.851 -179.863 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.487 ' CG1' ' O ' ' A' ' 42' ' ' SER . 36.9 mt -160.02 110.02 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.148 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.402 HG23 HD13 ' A' ' 39' ' ' LEU . 98.2 t -75.71 97.58 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.8 t -87.69 100.17 9.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.151 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.3 t -107.82 125.69 51.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.623 ' CB ' HD22 ' A' ' 98' ' ' LEU . 47.0 p90 -124.24 -177.17 3.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.8 p -144.67 149.95 45.24 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.614 0.721 . . . . 0.0 111.114 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 161.66 45.07 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.683 2.255 . . . . 0.0 112.363 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.498 ' O ' ' N ' ' A' ' 52' ' ' ASN . 53.9 Cg_endo -69.69 121.45 8.16 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.661 2.241 . . . . 0.0 112.343 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 50' ' ' PRO . 4.3 mt-10 -35.07 -32.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.498 ' N ' ' O ' ' A' ' 50' ' ' PRO . 36.0 t-20 -86.56 88.98 7.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 54' ' ' ASN . 22.4 mm-40 -64.78 -38.64 91.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 53' ' ' GLN . 1.2 m-20 -35.09 -39.42 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 13.9 mt -71.7 126.76 32.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 71.6 t -66.65 142.17 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.105 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.59 HG11 ' CZ ' ' A' ' 60' ' ' TYR . 85.9 t -141.27 119.88 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -89.44 -35.05 16.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.512 ' C ' ' CD1' ' A' ' 60' ' ' TYR . . . -179.03 -162.44 28.38 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.451 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.59 ' CZ ' HG11 ' A' ' 57' ' ' VAL . 2.5 m-85 -146.84 167.31 24.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.893 0.377 . . . . 0.0 110.907 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -121.35 132.85 55.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.091 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 26.3 mt -114.13 120.96 65.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.127 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -115.93 129.86 8.74 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.41 ' CE1' HD11 ' A' ' 74' ' ' ILE . 24.6 p90 -132.08 150.53 52.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.936 0.398 . . . . 0.0 110.891 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 172.3 139.4 2.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.463 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.4 HG13 ' CE1' ' A' ' 94' ' ' TYR . 60.5 mt -56.97 100.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.88 0.372 . . . . 0.0 111.13 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.24 -49.49 4.22 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.496 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 64.0 p -113.74 115.17 46.55 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.671 0.748 . . . . 0.0 110.858 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -4.95 15.01 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.692 2.261 . . . . 0.0 112.364 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 66.3 m-70 -86.7 39.17 0.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -103.45 -51.13 3.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.073 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.5 mp0 -136.78 157.93 45.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.7 m -137.02 133.95 36.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.147 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.41 HD11 ' CE1' ' A' ' 64' ' ' TYR . 33.2 mt -120.56 120.84 63.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.14 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 46.8 mttt -103.99 138.5 40.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 34.4 m -145.18 -175.01 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.136 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.436 ' CB ' ' OE1' ' A' ' 80' ' ' GLN . 7.4 t0 -95.75 168.09 10.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -60.92 -36.7 79.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.947 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 20.1 mmtp -52.08 -43.19 63.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.436 ' OE1' ' CB ' ' A' ' 77' ' ' ASP . 2.7 mp0 -57.1 121.06 9.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.12 -35.46 11.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.427 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 6.4 p90 -142.64 167.18 22.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -138.07 133.07 33.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.95 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 85.5 m -101.69 95.55 6.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 21.6 mt -76.7 111.95 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -104.65 174.33 5.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 67.01 48.93 1.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 84.7 mt -115.95 164.36 14.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.19 122.41 66.39 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.611 0.719 . . . . 0.0 110.885 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 166.24 28.27 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.667 2.245 . . . . 0.0 112.367 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.7 m 53.92 48.99 20.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.839 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 41.3 m -153.36 150.23 28.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -90.82 131.53 36.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.826 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.4 ' CE1' HG13 ' A' ' 66' ' ' ILE . 31.4 m-85 -123.57 130.06 52.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.952 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 61.0 t -91.91 111.55 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.124 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.1 mp -98.5 137.88 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.09 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.505 HG22 ' O ' ' A' ' 110' ' ' LEU . 80.6 p -135.01 145.92 48.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.131 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.623 HD22 ' CB ' ' A' ' 47' ' ' TRP . 4.5 tp -139.27 137.01 35.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.967 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -139.34 129.74 25.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.16 120.99 24.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.106 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.555 ' C ' ' CD1' ' A' ' 101' ' ' PHE . 1.2 p90 -124.74 146.59 49.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.836 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 48.7 p-10 -141.16 -176.02 4.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -44.96 -41.66 7.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.403 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 98.2 t -69.33 -50.05 55.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.505 ' N ' HG12 ' A' ' 27' ' ' VAL . . . 162.06 -165.75 36.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.491 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.537 ' HB3' ' CB ' ' A' ' 101' ' ' PHE . 1.6 pm0 -118.54 158.51 25.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.871 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -101.11 -127.94 6.24 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.558 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.509 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -105.59 130.04 23.69 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.657 0.741 . . . . 0.0 111.126 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 175.56 7.95 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.691 2.261 . . . . 0.0 112.317 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.593 HD11 ' HG2' ' A' ' 31' ' ' PRO . 9.9 mt -109.19 174.4 5.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -136.26 118.25 15.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -129.86 170.73 13.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 17.8 p -134.54 137.73 44.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.619 ' HB1' ' HB3' ' A' ' 38' ' ' PRO . . . -150.79 123.53 8.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 96.0 t -106.86 102.52 14.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.115 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 17.7 p -48.76 139.18 10.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -66.84 154.14 92.61 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.627 0.727 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 114.22 3.63 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.711 2.274 . . . . 0.0 112.329 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -60.34 91.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 9.8 t -66.32 152.52 44.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 38.0 t -99.01 -47.84 5.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 140.68 -84.69 0.21 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 132.61 23.7 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.697 2.265 . . . . 0.0 112.324 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 54.1 m 60.78 38.07 18.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 13.4 m -62.45 -51.18 68.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 -179.938 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.7 m -96.73 42.14 1.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.85 0.357 . . . . 0.0 110.859 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 4' ' ' GLY . 1.1 t -120.9 171.35 8.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.84 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -35.59 -39.75 0.26 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.496 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -40.75 160.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.795 0.331 . . . . 0.0 110.887 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.3 p -80.42 120.79 24.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.81 -94.58 0.22 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.458 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -2.01 9.48 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.675 2.25 . . . . 0.0 112.328 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.81 176.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.098 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 55.9 p -99.24 41.97 1.12 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 51.28 41.44 27.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.543 ' CZ2' ' HB2' ' A' ' 14' ' ' SER . 4.2 t-105 -106.0 117.01 32.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.0 mt -133.02 41.38 3.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.952 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.543 ' HB2' ' CZ2' ' A' ' 12' ' ' TRP . 7.5 t -48.6 -47.05 40.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.76 96.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.099 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -170.24 121.12 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.911 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.3 p -95.79 35.46 1.38 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.137 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -129.92 38.42 3.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -75.76 152.23 37.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.833 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.0 t 60.83 25.35 15.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.873 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -124.73 -24.33 4.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.459 ' N ' HD22 ' A' ' 22' ' ' LEU . 3.2 mm? -62.73 176.48 0.67 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -128.35 103.42 7.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -132.39 35.7 3.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.2 t -106.51 -20.46 13.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.16 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.677 ' CA ' HG11 ' A' ' 104' ' ' VAL . 5.1 ptp180 -131.34 153.75 49.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.605 HG12 ' N ' ' A' ' 105' ' ' GLY . 24.2 m -71.94 147.97 91.65 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.658 0.742 . . . . 0.0 111.09 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 116.47 4.58 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.658 2.238 . . . . 0.0 112.321 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 30' ' ' VAL . 12.2 pt-20 -65.99 164.44 15.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.659 HG23 ' HD2' ' A' ' 31' ' ' PRO . 4.9 p -34.74 138.76 0.33 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.64 0.733 . . . . 0.0 111.116 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.659 ' HD2' HG23 ' A' ' 30' ' ' VAL . 53.5 Cg_endo -69.78 171.4 14.55 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.1 p -52.58 -50.16 63.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -172.28 175.73 3.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.524 HD23 ' OE1' ' A' ' 112' ' ' GLU . 4.1 tp -147.43 114.46 6.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -104.13 147.44 27.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.5 m -136.04 135.72 50.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.8 107.84 43.7 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.629 0.728 . . . . 0.0 110.857 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.663 ' HB3' ' HB1' ' A' ' 114' ' ' ALA . 53.6 Cg_endo -69.81 121.96 8.63 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.681 2.254 . . . . 0.0 112.326 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.485 ' O ' ' C ' ' A' ' 40' ' ' VAL . 2.9 mp -116.2 154.22 30.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.938 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.596 HG12 HG23 ' A' ' 41' ' ' THR . 68.0 t -30.6 -74.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.596 HG23 HG12 ' A' ' 40' ' ' VAL . 36.0 p -116.0 26.15 10.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.495 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 3.7 p -151.36 -178.03 6.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.495 ' CG1' ' O ' ' A' ' 42' ' ' SER . 21.3 mt -160.5 118.32 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.114 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 74.2 t -85.98 103.41 12.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.14 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 67.7 t -97.55 101.33 12.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.8 t -102.15 139.62 37.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.534 ' CZ3' ' HA ' ' A' ' 82' ' ' TYR . 41.9 p90 -142.88 159.29 42.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 39.7 p -126.83 151.17 73.31 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.564 0.697 . . . . 0.0 111.117 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 163.81 36.83 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.661 2.241 . . . . 0.0 112.381 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 51' ' ' GLU . 53.5 Cg_endo -69.81 130.9 20.08 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.691 2.261 . . . . 0.0 112.357 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 50' ' ' PRO . 9.8 mt-10 -37.44 -47.15 0.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -74.72 85.15 2.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 54' ' ' ASN . 10.9 mm-40 -58.94 -33.71 70.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 53' ' ' GLN . 32.5 m-80 -36.48 -41.35 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 43.6 mt -67.45 119.07 12.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.135 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.2 t -67.17 107.69 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.46 HG11 ' CE2' ' A' ' 60' ' ' TYR . 61.2 t -105.09 108.35 24.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.143 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.412 ' HB3' ' NH1' ' A' ' 58' ' ' ARG . 4.4 mmm180 -71.44 -53.73 13.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.448 ' C ' ' CE2' ' A' ' 101' ' ' PHE . . . -166.31 -176.98 37.99 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.476 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.46 ' CE2' HG11 ' A' ' 57' ' ' VAL . 3.3 m-85 -129.48 163.52 25.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.884 0.373 . . . . 0.0 110.892 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.67 126.72 53.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.104 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.46 HD11 ' CH2' ' A' ' 47' ' ' TRP . 18.8 mt -108.01 122.11 61.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -115.24 119.68 4.7 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.504 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.43 ' CG ' HD13 ' A' ' 85' ' ' ILE . 17.6 p90 -126.58 148.89 49.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.892 0.377 . . . . 0.0 110.905 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 171.95 155.54 11.12 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.644 HD11 ' CZ ' ' A' ' 94' ' ' TYR . 30.4 mm -58.1 112.64 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.12 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.48 23.79 0.34 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.51 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.415 ' HB3' ' NE2' ' A' ' 70' ' ' HIS . 73.2 m -167.41 109.34 0.61 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.651 0.739 . . . . 0.0 110.837 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 68' ' ' SER . 53.8 Cg_endo -69.81 -15.02 36.72 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.68 2.253 . . . . 0.0 112.317 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.415 ' NE2' ' HB3' ' A' ' 68' ' ' SER . 21.0 p80 -80.26 42.81 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -112.64 -39.32 4.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -149.04 159.27 44.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.962 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 34.3 m -140.79 139.66 34.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.097 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.441 HD13 ' CE1' ' A' ' 83' ' ' TYR . 80.6 mt -132.08 107.96 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.165 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -93.61 111.74 23.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.432 HG13 HG22 ' A' ' 74' ' ' ILE . 28.2 m -117.7 170.73 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.158 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -79.38 162.08 25.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.824 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.508 ' CZ ' ' HE3' ' A' ' 79' ' ' LYS . 35.1 p90 -52.22 -51.2 59.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.508 ' HE3' ' CZ ' ' A' ' 78' ' ' TYR . 32.4 mttt -35.41 -55.42 0.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.916 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 44.1 mm-40 -44.85 107.29 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.63 -38.65 33.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.534 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 16.3 p90 -143.92 170.16 16.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.441 ' CE1' HD13 ' A' ' 74' ' ' ILE . 27.2 t80 -140.22 131.04 25.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.937 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 58.4 m -103.61 106.36 16.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.43 HD13 ' CG ' ' A' ' 64' ' ' TYR . 59.6 mt -79.97 123.01 36.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.433 ' C ' ' CG ' ' A' ' 87' ' ' ASN . 29.3 mt-10 -109.89 -174.93 2.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.433 ' CG ' ' C ' ' A' ' 86' ' ' GLU . 0.3 OUTLIER 47.88 48.04 18.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 22.0 mt -105.19 172.4 6.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -100.97 115.07 65.75 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.585 0.707 . . . . 0.0 110.856 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 162.35 42.44 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.692 2.261 . . . . 0.0 112.352 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.5 m 59.94 48.13 9.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.5 m -156.59 151.13 25.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.889 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.417 ' CD2' ' N ' ' A' ' 94' ' ' TYR . 4.0 t-160 -86.02 130.57 34.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.824 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.644 ' CZ ' HD11 ' A' ' 66' ' ' ILE . 16.0 m-85 -123.98 133.4 53.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 87.6 t -101.86 128.64 54.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.156 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.555 ' N ' HD12 ' A' ' 96' ' ' ILE . 4.1 mp -112.98 142.38 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.16 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.516 HG22 ' O ' ' A' ' 110' ' ' LEU . 80.7 p -140.64 135.3 31.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.499 HD22 ' CB ' ' A' ' 47' ' ' TRP . 7.3 tp -127.45 136.32 51.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -139.16 135.44 34.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -81.11 132.3 35.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.104 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.453 ' CD1' ' C ' ' A' ' 101' ' ' PHE . 6.6 p90 -133.16 151.48 51.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -157.23 -176.06 5.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -48.76 -43.88 38.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.677 HG11 ' CA ' ' A' ' 26' ' ' ARG . 62.6 t -60.9 -48.1 90.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.605 ' N ' HG12 ' A' ' 27' ' ' VAL . . . 163.02 -158.19 30.44 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -105.08 161.46 14.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.905 0.384 . . . . 0.0 110.855 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -107.74 -143.88 11.03 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.522 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.541 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -103.91 121.84 46.51 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.584 0.707 . . . . 0.0 111.139 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 160.41 49.81 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.693 2.262 . . . . 0.0 112.356 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.624 HD11 ' HG2' ' A' ' 31' ' ' PRO . 9.2 mt -109.74 165.25 11.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.452 ' C ' ' OE1' ' A' ' 112' ' ' GLU . 7.7 m-85 -121.85 123.42 41.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.524 ' OE1' HD23 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -132.5 167.42 20.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.935 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.1 m -142.26 143.57 32.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.663 ' HB1' ' HB3' ' A' ' 38' ' ' PRO . . . -155.63 120.27 4.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.096 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 61.2 t -97.86 106.55 18.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.0 p -49.67 140.36 11.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -71.79 155.02 92.67 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.602 0.715 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 116.48 4.57 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.707 2.272 . . . . 0.0 112.33 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.419 ' CG ' ' O ' ' A' ' 119' ' ' HIS . 55.3 t60 -81.57 45.61 0.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.83 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 76.9 p -101.05 39.16 1.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 31.8 m -121.65 167.48 12.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 103.14 64.73 0.71 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.464 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -176.36 1.46 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.691 2.261 . . . . 0.0 112.35 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.8 t -99.09 40.61 1.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 29.4 p -89.43 -60.96 1.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.995 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.0 p -53.58 -44.47 69.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.893 0.378 . . . . 0.0 110.854 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 t -78.6 169.5 18.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.45 135.72 1.93 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t -154.64 120.03 5.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.881 0.372 . . . . 0.0 110.849 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -79.73 -60.26 2.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.838 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.73 85.59 1.32 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.468 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 156.58 62.87 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.691 2.261 . . . . 0.0 112.302 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -152.83 -177.85 6.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.112 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 35.1 m -145.41 116.37 7.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.1 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -99.07 160.73 14.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 14.4 m95 -56.44 122.1 11.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -128.42 167.57 16.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 98.9 p -74.56 84.82 2.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.23 141.71 47.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -107.84 39.76 1.87 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.7 m -125.28 128.24 47.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.143 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -131.35 118.99 21.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -83.54 148.59 27.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 t -86.16 52.56 2.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.824 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -126.52 47.77 2.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -117.23 163.39 16.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -75.4 105.73 6.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.813 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.434 ' CG ' ' OD1' ' A' ' 103' ' ' ASN . 64.8 tt0 -127.42 37.54 4.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 59.4 p -111.87 -16.09 13.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.7 ptt-85 -133.2 157.41 45.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.569 HG12 ' CA ' ' A' ' 105' ' ' GLY . 21.1 m -70.93 152.88 94.96 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.673 0.749 . . . . 0.0 111.087 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.618 ' HA ' HG21 ' A' ' 55' ' ' ILE . 54.3 Cg_endo -69.68 105.54 1.49 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.631 2.221 . . . . 0.0 112.402 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 30' ' ' VAL . 9.1 mt-10 -52.75 153.56 3.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.886 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.67 HG23 ' HD2' ' A' ' 31' ' ' PRO . 5.7 p -33.45 138.62 0.26 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.643 0.735 . . . . 0.0 111.128 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.67 ' HD2' HG23 ' A' ' 30' ' ' VAL . 53.5 Cg_endo -69.76 171.42 14.49 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.251 . . . . 0.0 112.307 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.2 m -53.24 -47.52 68.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.7 t -174.56 -175.38 0.93 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.846 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.414 HD22 ' HB3' ' A' ' 98' ' ' LEU . 2.3 tp -149.77 114.07 5.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.429 ' ND1' ' C ' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -99.0 148.13 24.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.861 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 5.5 m -141.33 145.43 24.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.7 ttt85 -129.01 107.94 18.09 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.591 0.71 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 123.52 10.2 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.664 2.243 . . . . 0.0 112.374 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.47 ' O ' ' C ' ' A' ' 40' ' ' VAL . 4.6 mp -116.14 154.33 30.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.581 HG12 HG23 ' A' ' 41' ' ' THR . 99.0 t -31.6 -70.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.581 HG23 HG12 ' A' ' 40' ' ' VAL . 35.8 p -118.8 22.21 12.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.493 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 0.8 OUTLIER -146.82 -177.98 5.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.814 -179.845 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.493 ' CG1' ' O ' ' A' ' 42' ' ' SER . 23.3 mt -160.16 106.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.106 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.454 HG23 HD13 ' A' ' 39' ' ' LEU . 59.7 t -79.36 97.69 2.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.112 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.7 t -86.02 103.28 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.115 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -108.55 122.47 47.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.694 ' CB ' HD22 ' A' ' 98' ' ' LEU . 43.2 p90 -122.63 -175.71 3.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.943 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.95 154.86 68.9 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.572 0.701 . . . . 0.0 111.102 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 156.72 62.61 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.658 2.239 . . . . 0.0 112.326 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.475 ' O ' ' N ' ' A' ' 52' ' ' ASN . 53.1 Cg_endo -69.87 123.28 9.91 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.675 2.25 . . . . 0.0 112.336 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 50' ' ' PRO . 21.2 mt-10 -36.75 -30.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' A' ' 50' ' ' PRO . 18.0 t-20 -88.12 101.03 13.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -80.62 -34.05 35.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -38.97 -35.69 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.618 HG21 ' HA ' ' A' ' 28' ' ' PRO . 31.1 mt -75.98 146.23 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.164 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.7 t -92.4 141.22 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.201 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.571 HG12 ' H ' ' A' ' 59' ' ' GLY . 3.5 t -137.58 132.14 44.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -107.36 22.13 16.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.571 ' H ' HG12 ' A' ' 57' ' ' VAL . . . 126.5 179.61 15.84 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.493 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.427 ' CE1' ' HA ' ' A' ' 78' ' ' TYR . 2.8 m-85 -129.65 162.77 27.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.896 0.379 . . . . 0.0 110.9 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -115.07 110.61 19.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.11 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 34.0 mt -91.45 132.08 36.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.141 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -130.52 119.94 2.88 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.529 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.461 ' CZ ' ' HB2' ' A' ' 72' ' ' GLN . 6.0 p90 -120.69 159.27 25.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.926 0.393 . . . . 0.0 110.938 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 159.85 129.16 1.02 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.447 HD11 ' CZ ' ' A' ' 94' ' ' TYR . 17.7 mt -51.92 110.82 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 111.105 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.15 -53.84 4.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.475 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.7 m -122.57 121.11 27.67 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.661 0.743 . . . . 0.0 110.865 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -3.3 11.76 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.682 2.255 . . . . 0.0 112.335 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 -77.64 47.54 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -114.93 -54.71 2.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.067 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.461 ' HB2' ' CZ ' ' A' ' 64' ' ' TYR . 3.3 mp0 -139.67 154.11 47.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.1 m -136.05 128.37 30.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 86.3 mt -118.36 114.54 45.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.084 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.468 ' HD2' ' CE2' ' A' ' 101' ' ' PHE . 26.6 mmtm -99.01 119.34 37.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.8 m -129.28 147.97 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.1 p30 -48.14 150.92 1.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.473 ' CD1' ' N ' ' A' ' 79' ' ' LYS . 32.0 p90 -52.93 -44.36 66.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.958 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.473 ' N ' ' CD1' ' A' ' 78' ' ' TYR . 30.1 mtpt -41.03 -47.57 3.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.923 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -48.68 121.29 4.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -90.47 -36.63 14.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.519 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 55.9 p90 -145.07 167.04 23.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.951 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -140.43 144.36 36.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.973 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 78.8 m -106.53 106.89 17.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.145 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 35.2 mt -89.16 111.6 23.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -107.89 173.98 6.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 24.3 m-20 71.22 43.95 0.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 30.9 mt -112.24 174.01 6.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -98.24 120.97 58.44 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.591 0.71 . . . . 0.0 110.859 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 153.59 68.34 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.66 2.24 . . . . 0.0 112.338 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.4 t 65.71 48.48 1.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.845 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.3 m -156.81 139.5 15.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -81.46 132.56 35.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.841 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.56 ' O ' HD12 ' A' ' 96' ' ' ILE . 41.1 m-85 -125.84 122.96 37.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 59.7 t -83.45 110.44 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.111 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.56 HD12 ' O ' ' A' ' 94' ' ' TYR . 4.5 mp -98.8 141.47 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.143 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.481 HG22 ' O ' ' A' ' 110' ' ' LEU . 32.4 p -133.46 151.25 51.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.121 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.694 HD22 ' CB ' ' A' ' 47' ' ' TRP . 5.3 tp -142.98 136.95 28.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -150.37 135.48 17.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -81.71 147.84 29.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.076 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.468 ' CE2' ' HD2' ' A' ' 75' ' ' LYS . 16.2 p90 -142.76 151.67 41.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.412 ' CG ' ' HD3' ' A' ' 28' ' ' PRO . 47.6 p-10 -147.34 -176.77 5.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.434 ' OD1' ' CG ' ' A' ' 24' ' ' GLU . 8.4 p-10 -45.97 -38.5 7.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 74.0 t -71.7 -48.19 53.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.119 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.569 ' CA ' HG12 ' A' ' 27' ' ' VAL . . . 159.21 -160.94 31.69 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -112.53 160.83 17.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.902 0.382 . . . . 0.0 110.897 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -103.71 -136.14 8.85 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.441 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 1.3 mm -98.44 126.64 38.72 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.644 0.735 . . . . 0.0 111.139 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -176.29 1.43 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.707 2.271 . . . . 0.0 112.38 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.58 HD21 ' CG2' ' A' ' 30' ' ' VAL . 80.8 mt -131.22 150.26 52.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -108.86 134.41 51.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -140.52 178.26 7.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 78.6 p -141.46 137.76 32.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -149.59 119.12 6.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 99.8 t -104.43 103.66 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 16.6 p -52.13 139.98 22.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.155 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -65.85 155.3 86.94 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.588 0.709 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 127.8 15.13 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.672 2.248 . . . . 0.0 112.386 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 22.4 t60 -105.43 100.85 10.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 63.8 p -52.34 93.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 89.3 p -70.31 177.54 3.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 74.22 168.58 18.91 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.463 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 92.56 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.644 2.229 . . . . 0.0 112.335 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.1 t -81.66 139.18 35.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 77.5 p -171.76 169.81 5.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.828 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.443 -179.974 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.3 p -172.39 174.72 3.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.371 . . . . 0.0 110.855 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.8 p -168.08 172.68 8.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.92 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.85 123.86 7.89 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.54 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.1 t -171.67 162.67 6.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.867 0.365 . . . . 0.0 110.852 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 t -171.71 162.93 6.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.813 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.19 120.97 1.53 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.457 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -175.59 1.22 Allowed 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.683 2.255 . . . . 0.0 112.353 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -103.98 164.08 11.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.101 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.0 p -129.5 123.71 32.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.181 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -153.66 166.32 33.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 3.2 m-90 -111.07 42.14 1.69 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.6 mp 45.09 41.45 5.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.2 t -162.6 145.03 10.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -174.53 119.52 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.084 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -160.76 120.76 2.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 41.1 p -118.41 38.18 3.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.084 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 28.9 p90 -158.47 122.09 3.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -99.12 156.27 17.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 91.3 p -63.31 -40.03 96.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 22' ' ' LEU . 54.9 m-20 -40.37 -42.21 1.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.888 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.467 ' CD2' ' HA ' ' A' ' 54' ' ' ASN . 79.8 mt -35.42 144.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -89.48 115.73 27.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.402 ' HB2' HG21 ' A' ' 56' ' ' VAL . 25.0 tt0 -117.79 29.03 8.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.4 p -104.48 -10.09 17.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.082 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -124.65 170.49 10.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.847 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.6 m -99.52 145.98 31.01 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.622 0.725 . . . . 0.0 111.161 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 102.18 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 30' ' ' VAL . 1.7 pp20? -56.99 169.02 0.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.675 HG23 ' HD2' ' A' ' 31' ' ' PRO . 4.3 p -34.06 138.77 0.3 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.57 0.7 . . . . 0.0 111.191 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.675 ' HD2' HG23 ' A' ' 30' ' ' VAL . 53.1 Cg_endo -69.76 173.24 11.26 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.695 2.263 . . . . 0.0 112.322 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.2 m -53.65 -45.01 70.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 m -174.67 -177.92 1.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.823 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.6 tp -153.21 116.23 4.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.964 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -102.82 148.48 25.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.808 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.3 m -139.96 139.21 37.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.403 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 55.3 ttt180 -125.48 109.69 26.14 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.59 0.71 . . . . 0.0 110.872 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 37' ' ' ARG . 54.2 Cg_endo -69.65 129.23 17.36 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.69 2.26 . . . . 0.0 112.372 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.483 ' O ' ' C ' ' A' ' 40' ' ' VAL . 4.4 mp -120.43 154.21 35.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.534 HG12 HG23 ' A' ' 41' ' ' THR . 58.0 t -30.63 -69.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.534 HG23 HG12 ' A' ' 40' ' ' VAL . 30.3 p -120.9 22.6 11.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.165 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.419 ' C ' ' HB2' ' A' ' 39' ' ' LEU . 6.4 p -145.69 -179.35 6.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.829 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.512 HG13 HD12 ' A' ' 88' ' ' LEU . 46.8 mt -157.12 106.7 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.134 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.466 HG23 HD13 ' A' ' 39' ' ' LEU . 87.8 t -78.92 97.69 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.4 t -90.58 100.84 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.0 t -106.42 126.38 52.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.486 ' CB ' HD22 ' A' ' 98' ' ' LEU . 47.2 p90 -124.68 -174.99 3.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.961 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.78 158.59 56.07 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.587 0.708 . . . . 0.0 111.126 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 166.55 27.16 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.705 2.27 . . . . 0.0 112.343 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.422 ' O ' ' N ' ' A' ' 52' ' ' ASN . 54.6 Cg_endo -69.72 134.35 27.84 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.636 2.224 . . . . 0.0 112.373 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -38.33 -31.02 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 50' ' ' PRO . 9.7 t-20 -95.81 162.27 13.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.893 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.506 ' O ' ' N ' ' A' ' 55' ' ' ILE . 17.5 mm100 -125.24 -42.67 1.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.467 ' HA ' ' CD2' ' A' ' 22' ' ' LEU . 21.3 p-10 -36.75 -29.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.506 ' N ' ' O ' ' A' ' 53' ' ' GLN . 59.3 mt -77.79 137.48 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.402 HG21 ' HB2' ' A' ' 24' ' ' GLU . 81.7 t -78.21 130.13 36.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.116 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.0 t -124.4 125.83 70.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -96.84 -39.23 9.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 179.66 -160.72 26.12 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.468 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.432 ' CE2' ' HA ' ' A' ' 78' ' ' TYR . 1.2 m-85 -146.36 152.46 39.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.862 0.363 . . . . 0.0 110.934 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.491 ' HB3' ' HG2' ' A' ' 99' ' ' LYS . . . -105.23 124.94 50.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.4 HD11 ' CH2' ' A' ' 47' ' ' TRP . 22.3 mt -106.77 116.52 50.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -114.13 129.41 8.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.508 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 48.7 p90 -136.31 164.04 29.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.925 0.393 . . . . 0.0 110.955 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 150.17 161.93 10.2 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.521 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.428 HD11 ' CZ ' ' A' ' 94' ' ' TYR . 46.5 mm -73.23 114.23 12.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.829 0.347 . . . . 0.0 111.152 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.56 -55.41 3.1 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.539 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 72.8 m -137.12 144.59 46.68 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.651 0.739 . . . . 0.0 110.88 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 70' ' ' HIS . 53.5 Cg_endo -69.72 -32.07 19.46 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.674 2.25 . . . . 0.0 112.333 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.422 ' C ' ' O ' ' A' ' 69' ' ' PRO . 52.2 m-70 -36.19 -35.6 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 70' ' ' HIS . . . -36.37 -60.39 0.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -135.13 151.72 50.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 87.2 m -142.87 135.55 27.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.125 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 45.3 mt -122.12 136.64 58.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.168 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.482 ' HD2' ' CZ ' ' A' ' 101' ' ' PHE . 17.7 mmtp -119.3 125.29 48.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.7 m -137.78 167.01 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.091 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -67.67 174.97 3.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.481 ' CE1' ' HD2' ' A' ' 79' ' ' LYS . 16.0 p90 -71.02 -35.93 72.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.973 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.481 ' HD2' ' CE1' ' A' ' 78' ' ' TYR . 0.2 OUTLIER -44.31 -49.84 9.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.892 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -51.69 115.66 1.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.87 -29.45 18.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 14.5 p90 -149.71 162.82 39.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -137.2 132.15 33.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 92.1 m -98.15 102.46 14.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.162 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 45.0 mt -83.05 111.99 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -111.08 176.79 4.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.2 m120 68.46 46.7 1.0 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.512 HD12 HG13 ' A' ' 43' ' ' ILE . 92.4 mt -115.04 177.17 4.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -103.31 122.02 46.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.581 0.705 . . . . 0.0 110.853 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 148.56 64.89 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.7 2.267 . . . . 0.0 112.332 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.9 t 74.47 42.88 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 68.6 m -148.3 156.53 42.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -99.84 124.35 45.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.473 ' O ' HD12 ' A' ' 96' ' ' ILE . 69.5 m-85 -116.71 125.74 52.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 84.6 t -86.74 107.47 16.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.473 HD12 ' O ' ' A' ' 94' ' ' TYR . 4.8 mp -95.31 136.37 26.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.602 HG22 ' O ' ' A' ' 110' ' ' LEU . 41.5 p -128.36 160.51 31.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.163 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.486 HD22 ' CB ' ' A' ' 47' ' ' TRP . 10.1 tp -149.69 132.15 15.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.491 ' HG2' ' HB3' ' A' ' 61' ' ' ALA . 9.6 ptpp? -141.84 132.88 26.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.88 128.31 36.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.078 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.482 ' CZ ' ' HD2' ' A' ' 75' ' ' LYS . 25.7 p90 -136.32 143.8 44.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 52.5 p-10 -130.77 -175.25 3.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -43.98 -34.24 1.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 26.2 t -71.15 -46.37 66.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 158.64 -167.84 34.74 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.08 161.05 14.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.879 0.371 . . . . 0.0 110.918 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -107.38 -130.94 6.51 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.496 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -106.72 123.98 36.93 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.619 0.723 . . . . 0.0 111.146 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 167.9 23.1 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.684 2.256 . . . . 0.0 112.361 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.602 ' O ' HG22 ' A' ' 97' ' ' THR . 19.9 mt -109.64 179.81 4.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -141.37 126.57 18.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -135.69 -177.62 4.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 44.4 p -141.94 138.92 32.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -151.13 111.48 4.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.109 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 96.2 t -102.21 101.7 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 38.5 p -51.2 130.35 26.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 89.1 mtt-85 -56.14 153.39 18.6 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.64 0.733 . . . . 0.0 110.823 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 119' ' ' HIS . 53.8 Cg_endo -69.73 103.17 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.652 2.235 . . . . 0.0 112.366 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.442 ' C ' ' O ' ' A' ' 118' ' ' PRO . 26.4 t-80 -34.81 105.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.836 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 2.9 t -80.73 142.63 33.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.147 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 72.8 m -95.15 -46.02 6.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 61.57 65.6 3.15 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 100.33 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.67 2.246 . . . . 0.0 112.341 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 14.6 t -170.87 146.91 2.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.824 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 42.5 m -162.94 121.75 2.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.844 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.527 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.4 m -145.77 145.79 30.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.815 0.341 . . . . 0.0 110.893 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -162.26 170.59 18.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.34 149.89 19.57 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.467 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -165.08 160.48 18.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.893 0.378 . . . . 0.0 110.858 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t 71.58 42.4 0.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.17 127.82 9.37 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.472 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 129.39 17.54 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.675 2.25 . . . . 0.0 112.329 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -139.21 105.14 5.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.4 m -100.75 96.83 7.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -66.04 116.3 7.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.897 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 70.9 m95 -63.37 166.54 6.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.412 HD23 ' H ' ' A' ' 13' ' ' LEU . 1.2 pt? -118.39 144.95 45.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.952 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 31.7 t -67.83 131.14 44.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -171.68 121.99 0.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -58.38 128.5 37.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.9 p -110.15 90.33 3.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.113 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -73.6 169.06 18.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.88 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.48 134.73 50.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.3 m -82.48 58.06 3.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.42 ' C ' HD12 ' A' ' 22' ' ' LEU . 20.5 t70 -174.2 111.74 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.42 HD12 ' C ' ' A' ' 21' ' ' ASP . 5.3 mp -137.99 174.34 10.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -93.81 99.89 12.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.509 ' HB2' HG21 ' A' ' 56' ' ' VAL . 16.6 tt0 -125.29 31.3 5.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 57.5 p -104.91 -15.73 15.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.147 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.676 ' HA ' HG11 ' A' ' 104' ' ' VAL . 0.0 OUTLIER -131.25 157.23 43.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.488 HG12 ' N ' ' A' ' 105' ' ' GLY . 20.1 m -70.93 148.45 94.59 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.65 0.738 . . . . 0.0 111.161 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.447 ' HG2' ' C ' ' A' ' 100' ' ' ALA . 53.3 Cg_endo -69.76 99.56 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.711 2.274 . . . . 0.0 112.355 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.547 ' OE2' HD13 ' A' ' 55' ' ' ILE . 0.4 OUTLIER -51.28 161.69 0.41 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.893 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.689 HG23 ' HD2' ' A' ' 31' ' ' PRO . 4.9 p -33.94 139.0 0.28 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.607 0.718 . . . . 0.0 111.142 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.689 ' HD2' HG23 ' A' ' 30' ' ' VAL . 53.6 Cg_endo -69.76 178.36 4.65 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.663 2.242 . . . . 0.0 112.353 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.0 t -58.43 -44.44 89.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.818 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 58.9 p -175.3 177.37 1.87 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.636 ' HB3' HD13 ' A' ' 110' ' ' LEU . 1.6 tp -141.98 128.96 20.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.664 ' CG ' ' HG ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -117.86 144.83 45.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.863 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.468 HG11 HG21 ' A' ' 96' ' ' ILE . 16.1 m -143.87 135.66 22.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.084 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -117.6 109.84 41.3 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.6 0.714 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 124.77 11.44 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.726 2.284 . . . . 0.0 112.355 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.474 ' O ' ' C ' ' A' ' 40' ' ' VAL . 4.4 mp -118.76 154.41 32.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.474 ' C ' ' O ' ' A' ' 39' ' ' LEU . 18.9 t -31.45 -71.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.6 p -117.73 24.44 11.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.43 ' C ' HG13 ' A' ' 43' ' ' ILE . 22.9 p -148.19 178.68 8.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.43 HG13 ' C ' ' A' ' 42' ' ' SER . 65.1 mt -156.96 105.03 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.418 HG23 HD13 ' A' ' 39' ' ' LEU . 95.5 t -76.89 100.01 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.103 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.3 t -89.84 109.61 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.129 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.664 ' HG ' ' CG ' ' A' ' 35' ' ' HIS . 2.7 p -113.14 117.31 31.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.585 ' CB ' HD22 ' A' ' 98' ' ' LEU . 47.1 p90 -117.81 172.87 7.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 40.3 p -133.29 153.47 80.63 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.581 0.705 . . . . 0.0 111.116 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 163.21 39.14 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 51' ' ' GLU . 54.0 Cg_endo -69.76 123.7 10.36 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.668 2.245 . . . . 0.0 112.357 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -34.54 -36.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.481 ' HB3' HD12 ' A' ' 55' ' ' ILE . 28.2 t-20 -91.0 84.41 5.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.924 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -60.63 -36.21 78.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -38.63 -32.64 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.547 HD13 ' OE2' ' A' ' 29' ' ' GLU . 21.2 mt -75.94 131.3 35.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.509 HG21 ' HB2' ' A' ' 24' ' ' GLU . 93.6 t -67.19 135.98 27.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.183 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.8 t -134.15 102.66 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.416 ' HB3' ' NH1' ' A' ' 58' ' ' ARG . 4.3 mmm180 -69.48 -35.55 75.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 176.58 -171.79 44.75 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.462 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.469 ' HB3' HD11 ' A' ' 98' ' ' LEU . 12.9 m-85 -131.27 156.7 44.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.896 0.379 . . . . 0.0 110.945 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.402 ' HB3' ' CG ' ' A' ' 99' ' ' LYS . . . -119.08 118.6 31.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.062 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.552 HD11 ' CZ3' ' A' ' 47' ' ' TRP . 68.7 mt -98.9 146.97 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.132 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -136.35 138.46 9.88 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.466 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -144.94 167.34 22.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.902 0.382 . . . . 0.0 110.918 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 155.78 162.27 11.23 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.5 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.855 HD11 ' CZ ' ' A' ' 94' ' ' TYR . 34.1 mm -79.75 98.75 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.901 0.382 . . . . 0.0 111.132 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.4 -40.51 2.4 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.442 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.4 m -147.13 141.35 15.8 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.682 0.754 . . . . 0.0 110.848 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.482 ' O ' ' N ' ' A' ' 71' ' ' ALA . 53.3 Cg_endo -69.77 -40.05 5.77 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.68 2.253 . . . . 0.0 112.353 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.419 ' C ' ' O ' ' A' ' 69' ' ' PRO . 46.6 m80 -36.85 -29.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 69' ' ' PRO . . . -42.74 -60.66 1.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.067 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -131.78 153.55 50.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 36.6 m -142.92 134.36 26.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.105 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 69.8 mt -122.89 131.36 73.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.8 mttm -117.87 112.98 21.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 34.3 m -117.49 173.66 4.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.084 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -68.15 150.12 48.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 49.3 p90 -54.8 -48.82 72.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 59.7 mttt -37.96 -43.88 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.947 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -54.28 117.26 3.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -85.29 -32.85 22.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.472 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 7.3 p90 -147.01 167.99 22.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -139.81 144.05 37.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 90.4 m -110.64 104.15 12.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.146 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.514 ' CG2' HD11 ' A' ' 88' ' ' LEU . 33.4 mt -87.33 114.2 25.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.105 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -106.85 -179.17 3.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.879 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 12.3 m120 60.81 50.51 5.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.514 HD11 ' CG2' ' A' ' 85' ' ' ILE . 33.6 mt -123.36 156.06 36.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -79.26 121.23 82.77 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.553 0.692 . . . . 0.0 110.879 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 179.14 3.9 Favored 'Trans proline' 0 C--N 1.34 0.114 0 C-N-CA 122.677 2.251 . . . . 0.0 112.326 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.5 p 42.24 51.37 4.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.847 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.3 m -151.51 141.37 21.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -81.03 122.84 27.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.855 ' CZ ' HD11 ' A' ' 66' ' ' ILE . 21.4 m-85 -117.22 135.06 54.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.944 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 98.4 t -98.34 106.62 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.468 HG21 HG11 ' A' ' 36' ' ' VAL . 3.2 mp -95.12 138.46 20.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.631 HG22 ' O ' ' A' ' 110' ' ' LEU . 66.4 p -135.37 157.7 46.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.089 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.585 HD22 ' CB ' ' A' ' 47' ' ' TRP . 9.3 tp -144.83 132.94 21.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.402 ' CG ' ' HB3' ' A' ' 61' ' ' ALA . 14.9 ptpt -135.69 133.75 38.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.447 ' C ' ' HG2' ' A' ' 28' ' ' PRO . . . -85.71 128.97 34.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.091 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -130.95 154.46 48.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.435 ' CG ' ' HD3' ' A' ' 28' ' ' PRO . 26.8 p-10 -152.01 -175.03 5.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -49.42 -38.55 29.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.676 HG11 ' HA ' ' A' ' 26' ' ' ARG . 39.0 t -61.99 -49.78 82.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.488 ' N ' HG12 ' A' ' 27' ' ' VAL . . . 170.68 -133.03 2.65 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.448 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -129.15 155.66 45.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.887 0.375 . . . . 0.0 110.891 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -102.79 -150.82 22.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.465 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.513 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -101.88 126.2 34.62 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.629 0.728 . . . . 0.0 111.12 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.41 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 54.3 Cg_endo -69.72 166.18 28.43 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.337 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.65 HD11 ' HG2' ' A' ' 31' ' ' PRO . 10.1 mt -108.96 179.12 4.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -140.25 114.52 9.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -129.4 175.53 8.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.6 p -133.0 140.17 47.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -150.04 111.48 4.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.085 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 57.8 t -98.46 106.8 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.131 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 58.2 p -49.82 125.46 11.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.137 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -44.63 153.42 0.47 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.575 0.703 . . . . 0.0 110.848 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 102.82 1.07 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.703 2.268 . . . . 0.0 112.316 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -84.45 -55.56 4.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.865 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.448 HG23 ' O ' ' A' ' 120' ' ' THR . 9.4 t -76.28 49.8 0.6 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 43.0 t -95.71 125.84 40.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -94.91 -118.35 3.14 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.517 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 168.56 21.22 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.659 2.239 . . . . 0.0 112.394 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 4.3 t -104.01 163.2 12.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 51.6 p -57.87 -44.71 86.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.52 -179.968 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.1 m -158.11 122.68 4.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.904 0.383 . . . . 0.0 110.869 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.0 m -157.74 173.8 16.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.26 57.71 0.13 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.541 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.4 t -63.91 -34.73 78.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.92 0.391 . . . . 0.0 110.915 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.0 m 56.37 42.71 27.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.42 149.33 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 178.28 4.7 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.69 2.26 . . . . 0.0 112.342 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -151.23 108.68 3.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.071 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 56.4 p -140.77 116.16 10.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -134.25 85.05 2.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.451 ' CD1' ' N ' ' A' ' 12' ' ' TRP . 0.0 OUTLIER -130.5 79.49 1.9 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.9 mt -110.42 92.33 4.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.4 p -129.87 47.32 2.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.34 47.29 1.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.079 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -117.93 72.59 0.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.8 m -154.61 130.44 10.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.125 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -106.0 162.18 13.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -86.95 151.48 23.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.5 m -80.48 43.57 0.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -125.08 44.28 2.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -90.74 161.79 15.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -82.91 116.26 22.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.449 ' CD ' ' O ' ' A' ' 24' ' ' GLU . 5.5 tm-20 -128.15 33.85 4.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.4 p -99.57 -12.26 20.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.148 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.62 ' HA ' HG11 ' A' ' 104' ' ' VAL . 8.5 ptm180 -141.69 153.86 44.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.567 HG12 ' N ' ' A' ' 105' ' ' GLY . 33.1 m -71.09 151.8 94.78 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.624 0.726 . . . . 0.0 111.108 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.637 ' HA ' HG21 ' A' ' 55' ' ' ILE . 53.6 Cg_endo -69.76 109.05 2.21 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.7 2.266 . . . . 0.0 112.316 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 30' ' ' VAL . 9.5 mt-10 -56.56 158.65 4.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.656 HG23 ' HD2' ' A' ' 31' ' ' PRO . 4.2 p -34.69 138.15 0.35 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.665 0.745 . . . . 0.0 111.095 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.656 ' HD2' HG23 ' A' ' 30' ' ' VAL . 54.3 Cg_endo -69.77 166.89 26.09 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.725 2.283 . . . . 0.0 112.339 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.5 p -48.31 -48.63 35.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.84 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 83.4 p -173.82 -176.02 1.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.6 tp -152.88 112.48 3.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -96.75 147.73 23.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.509 HG11 ' HB ' ' A' ' 96' ' ' ILE . 4.0 m -137.4 131.81 44.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.402 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 52.5 ttt180 -117.85 110.11 40.54 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.586 0.707 . . . . 0.0 110.854 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 37' ' ' ARG . 53.5 Cg_endo -69.82 128.08 15.47 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.32 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.613 ' O ' HG22 ' A' ' 116' ' ' THR . 2.7 mp -120.67 154.47 35.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.595 HG12 HG23 ' A' ' 41' ' ' THR . 60.6 t -29.65 -71.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.595 HG23 HG12 ' A' ' 40' ' ' VAL . 40.2 p -119.71 24.94 10.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.125 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.446 ' C ' HG13 ' A' ' 43' ' ' ILE . 2.6 m -149.33 -178.76 6.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.446 HG13 ' C ' ' A' ' 42' ' ' SER . 60.5 mt -157.73 105.85 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.519 HG23 HD13 ' A' ' 39' ' ' LEU . 93.5 t -74.47 96.03 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.9 t -86.24 100.11 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.7 t -105.45 127.18 52.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.83 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.463 ' CZ3' HD11 ' A' ' 62' ' ' ILE . 44.1 p90 -128.28 -174.93 3.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -142.4 159.92 56.23 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.592 0.711 . . . . 0.0 111.145 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 161.35 46.26 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.402 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 51' ' ' GLU . 53.3 Cg_endo -69.78 129.09 16.97 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.64 2.227 . . . . 0.0 112.34 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 50' ' ' PRO . 2.0 tt0 -34.77 -40.45 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -91.86 106.43 18.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.957 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -77.55 -32.36 53.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -38.66 -43.09 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.637 HG21 ' HA ' ' A' ' 28' ' ' PRO . 56.4 mt -68.38 124.35 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 90.1 t -65.91 138.62 22.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.064 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.458 HG11 ' CZ ' ' A' ' 60' ' ' TYR . 96.7 t -130.03 107.82 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.089 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.495 ' NE ' ' OD1' ' A' ' 103' ' ' ASN . 18.6 mmt180 -74.55 -32.72 62.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 179.17 -169.7 41.07 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.493 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.458 ' CZ ' HG11 ' A' ' 57' ' ' VAL . 15.9 m-85 -135.68 152.09 50.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.844 0.355 . . . . 0.0 110.939 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -117.95 123.72 46.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.119 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.463 HD11 ' CZ3' ' A' ' 47' ' ' TRP . 42.9 mt -108.16 141.2 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.11 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -135.35 121.54 2.58 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -116.0 170.93 8.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.951 0.405 . . . . 0.0 110.913 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 148.74 125.34 1.44 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.533 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.566 HG13 ' CE2' ' A' ' 94' ' ' TYR . 27.7 mt -47.91 118.03 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.857 0.36 . . . . 0.0 111.167 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.78 -58.66 2.59 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.46 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.3 m -116.2 119.47 36.57 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.666 0.745 . . . . 0.0 110.852 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 1.5 4.37 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.676 2.25 . . . . 0.0 112.325 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -81.87 44.4 0.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.834 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -107.75 -54.53 2.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.104 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -145.23 147.14 32.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.6 m -120.06 135.8 54.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 24.8 mt -129.25 108.5 16.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.143 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.9 mtmt -99.97 112.84 25.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.8 m -108.36 158.51 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.164 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -51.96 179.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 37.5 p90 -83.18 -22.43 33.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.935 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.0 mmtt -82.51 39.21 0.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.404 ' HA ' ' NE2' ' A' ' 80' ' ' GLN . 6.8 mm100 -126.07 122.29 35.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -91.43 -33.67 15.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.413 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 6.1 p90 -148.52 169.29 20.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -141.3 128.62 21.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 48.1 m -90.91 102.65 15.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.139 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 62.7 mt -85.61 105.69 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -103.25 174.44 5.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 74.53 45.0 0.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 56.0 mt -121.18 157.05 31.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -87.78 129.96 48.62 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.647 0.737 . . . . 0.0 110.841 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.413 ' HA ' ' OG1' ' A' ' 116' ' ' THR . 53.6 Cg_endo -69.74 145.62 57.8 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.719 2.279 . . . . 0.0 112.332 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.451 ' N ' ' OG1' ' A' ' 116' ' ' THR . 6.8 t 74.98 54.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.8 p -159.29 129.16 5.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -78.47 126.67 31.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.566 ' CE2' HG13 ' A' ' 66' ' ' ILE . 26.9 m-85 -117.19 138.03 51.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 99.8 t -95.58 101.87 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.14 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.509 ' HB ' HG11 ' A' ' 36' ' ' VAL . 4.5 mp -90.23 138.56 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.685 HG22 ' O ' ' A' ' 110' ' ' LEU . 35.7 p -132.81 154.19 50.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.459 HD22 ' CB ' ' A' ' 47' ' ' TRP . 4.6 tp -145.57 131.21 18.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.3 ptpt -134.91 133.35 39.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 107' ' ' GLY . . . -84.25 130.5 34.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.063 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -133.38 165.61 24.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 36.5 p-10 -165.19 -179.87 5.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.495 ' OD1' ' NE ' ' A' ' 58' ' ' ARG . 30.1 m120 -46.18 -34.07 4.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.62 HG11 ' HA ' ' A' ' 26' ' ' ARG . 30.1 t -65.95 -47.46 85.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.567 ' N ' HG12 ' A' ' 27' ' ' VAL . . . 171.69 -129.99 1.86 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.513 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.407 ' O ' HG21 ' A' ' 27' ' ' VAL . 20.4 mt-10 -131.5 167.53 19.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.88 0.371 . . . . 0.0 110.894 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 100' ' ' ALA . . . -115.94 -172.37 16.76 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.5 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 4.9 mm -84.64 125.55 71.03 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.649 0.738 . . . . 0.0 111.139 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.413 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 53.5 Cg_endo -69.75 161.29 46.52 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.694 2.263 . . . . 0.0 112.333 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.685 ' O ' HG22 ' A' ' 97' ' ' THR . 45.8 mt -112.49 158.89 19.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.929 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -118.71 127.3 53.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.914 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -137.47 178.48 7.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.937 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 66.2 p -140.6 138.47 34.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -163.79 115.42 1.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.086 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -109.77 119.9 59.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.158 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.613 HG22 ' O ' ' A' ' 39' ' ' LEU . 12.7 p -41.46 158.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.165 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 39.5 mtt-85 -88.35 159.18 47.93 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.621 0.724 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 106.62 1.7 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.704 2.269 . . . . 0.0 112.36 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -54.01 111.2 0.71 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 90.9 m -78.9 129.72 34.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 87.6 p -69.89 139.72 53.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 108.41 -178.43 21.16 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.486 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 171.61 14.17 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.701 2.267 . . . . 0.0 112.326 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 40.1 p -78.31 165.26 24.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.815 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 48.4 t -117.17 135.26 53.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.812 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.522 -179.972 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t 53.63 42.39 31.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.886 0.374 . . . . 0.0 110.894 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.1 t -109.26 91.81 3.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 49.03 -178.1 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.459 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.9 m -70.47 139.16 51.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.844 0.354 . . . . 0.0 110.888 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.9 m -90.67 112.44 24.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 47.3 83.96 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.527 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.561 ' O ' HG23 ' A' ' 10' ' ' THR . 53.7 Cg_endo -69.72 -9.88 27.22 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.68 2.253 . . . . 0.0 112.408 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -45.63 120.82 2.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.075 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.561 HG23 ' O ' ' A' ' 8' ' ' PRO . 30.9 p -131.58 137.86 48.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.158 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -119.35 159.12 24.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.819 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.1 p90 -142.25 155.31 45.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.925 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.624 HD12 ' N ' ' A' ' 14' ' ' SER . 4.6 tp -110.43 141.19 43.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.624 ' N ' HD12 ' A' ' 13' ' ' LEU . 43.7 m -66.47 88.69 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -157.86 173.96 16.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.134 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -137.3 177.53 7.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.2 m -141.47 137.83 32.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.176 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.546 ' CE2' HD21 ' A' ' 22' ' ' LEU . 6.9 p90 -89.3 -43.08 11.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.533 ' HA ' HD23 ' A' ' 22' ' ' LEU . 0.5 OUTLIER 36.65 41.19 0.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.884 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.0 t -95.39 -20.06 19.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -132.52 -1.52 3.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.822 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.546 HD21 ' CE2' ' A' ' 18' ' ' PHE . 4.6 mm? -63.09 166.79 5.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -113.77 89.75 3.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.827 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.454 ' O ' ' CG2' ' A' ' 104' ' ' VAL . 24.1 tt0 -112.83 23.58 13.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.4 p -99.16 -5.53 29.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.4 ptt180 -138.78 149.92 45.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.483 HG21 ' O ' ' A' ' 106' ' ' GLU . 28.2 m -73.09 152.25 90.57 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.606 0.717 . . . . 0.0 111.157 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.611 ' HA ' HG21 ' A' ' 55' ' ' ILE . 53.3 Cg_endo -69.79 119.68 6.59 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.631 2.221 . . . . 0.0 112.328 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 30' ' ' VAL . 9.6 mt-10 -70.45 165.53 22.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.458 ' CG2' HD21 ' A' ' 110' ' ' LEU . 4.4 p -34.58 132.75 0.42 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.625 0.726 . . . . 0.0 111.101 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.585 ' HG2' HD11 ' A' ' 110' ' ' LEU . 53.8 Cg_endo -69.8 170.98 15.34 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.4 t -49.14 -49.76 40.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.7 t -174.87 -177.07 1.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.876 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.434 HD22 ' HB3' ' A' ' 98' ' ' LEU . 2.7 tp -149.3 113.63 5.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.94 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -97.72 148.15 23.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.8 m -141.36 144.18 26.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.112 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.598 ' HG3' HD12 ' A' ' 39' ' ' LEU . 10.3 tpp180 -129.59 107.92 17.25 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.666 0.746 . . . . 0.0 110.85 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 37' ' ' ARG . 53.6 Cg_endo -69.74 127.67 14.94 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.694 2.263 . . . . 0.0 112.342 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.657 ' CD1' HG23 ' A' ' 44' ' ' VAL . 3.5 mp -122.18 154.55 37.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.472 ' C ' ' O ' ' A' ' 39' ' ' LEU . 11.3 t -31.58 -69.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.6 p -119.72 22.56 11.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.104 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.499 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 14.1 p -145.85 -179.94 7.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.499 ' CG1' ' O ' ' A' ' 42' ' ' SER . 23.5 mt -160.57 105.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.087 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.657 HG23 ' CD1' ' A' ' 39' ' ' LEU . 2.3 t -76.83 97.58 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 60.6 t -90.53 102.59 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.081 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.7 t -108.18 128.32 54.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.789 ' CZ3' HD11 ' A' ' 62' ' ' ILE . 46.1 p90 -126.2 -179.82 4.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.6 p -137.86 151.08 69.68 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.58 0.705 . . . . 0.0 111.093 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 157.74 59.26 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.659 2.239 . . . . 0.0 112.324 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.471 ' O ' ' N ' ' A' ' 52' ' ' ASN . 53.4 Cg_endo -69.78 118.06 5.46 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.683 2.256 . . . . 0.0 112.371 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 50' ' ' PRO . 34.0 mm-40 -38.08 -28.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.914 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 50' ' ' PRO . 11.9 t-20 -84.68 91.69 7.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.942 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -70.37 -31.54 68.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -42.27 -39.57 2.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.611 HG21 ' HA ' ' A' ' 28' ' ' PRO . 33.1 mt -77.14 117.78 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 35.8 t -66.88 131.84 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.124 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.8 t -123.68 136.78 59.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -100.44 -29.53 12.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.421 ' HA2' ' C ' ' A' ' 77' ' ' ASP . . . 174.14 -178.62 45.92 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.474 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.573 ' CE2' ' HA ' ' A' ' 78' ' ' TYR . 23.5 m-85 -127.92 164.57 21.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.856 0.36 . . . . 0.0 110.971 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.477 ' HB1' HG23 ' A' ' 73' ' ' THR . . . -127.45 128.13 45.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.093 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.789 HD11 ' CZ3' ' A' ' 47' ' ' TRP . 15.9 mt -110.59 112.44 40.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.149 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -102.11 128.12 9.45 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.451 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.511 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 9.3 p90 -132.7 151.13 52.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.963 0.411 . . . . 0.0 110.923 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 165.31 137.13 2.13 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.482 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.7 mt -62.09 105.65 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.942 0.401 . . . . 0.0 111.09 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.99 -48.29 0.96 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.5 m -148.48 142.09 15.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.683 0.754 . . . . 0.0 110.869 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 71' ' ' ALA . 52.9 Cg_endo -69.86 -35.81 11.67 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.703 2.269 . . . . 0.0 112.317 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 71' ' ' ALA . 49.7 m-70 -41.76 -24.65 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 64' ' ' TYR . . . -35.88 -57.79 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -146.4 167.69 22.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.477 HG23 ' HB1' ' A' ' 61' ' ' ALA . 100.0 m -135.48 127.26 29.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.17 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 94.3 mt -111.77 107.93 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.104 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.546 ' HE3' ' CZ ' ' A' ' 101' ' ' PHE . 6.2 mtpp -110.48 137.86 47.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.653 HG23 ' H ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -132.5 -77.24 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.896 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.653 ' H ' HG23 ' A' ' 76' ' ' VAL . 3.8 m-20 -175.4 -175.35 0.8 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.573 ' HA ' ' CE2' ' A' ' 60' ' ' TYR . 45.0 p90 -84.31 -23.09 30.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.937 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -71.07 -44.48 65.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.886 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -50.62 125.15 12.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -97.03 -35.43 10.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -144.86 160.44 41.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -139.22 132.64 30.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 88.0 m -92.11 110.98 22.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.174 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 39.9 mt -89.44 106.58 17.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.402 ' C ' ' ND2' ' A' ' 87' ' ' ASN . 41.8 mt-10 -103.04 171.64 7.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.402 ' ND2' ' C ' ' A' ' 86' ' ' GLU . 5.6 m-80 74.96 41.81 0.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 14.0 mt -119.15 158.79 25.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -90.8 136.26 27.98 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.562 0.696 . . . . 0.0 110.889 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 168.7 20.87 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.656 2.237 . . . . 0.0 112.312 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.7 m 46.31 53.23 9.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.5 m -148.11 133.69 18.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -83.59 130.26 34.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.833 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -124.64 142.29 51.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 57.2 t -102.02 111.68 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.15 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 3.8 mp -100.2 131.44 47.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.808 HG22 ' O ' ' A' ' 110' ' ' LEU . 40.4 p -131.54 120.33 22.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.642 HD22 ' CB ' ' A' ' 47' ' ' TRP . 9.7 tp -107.86 139.47 42.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -140.71 148.61 41.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.446 ' C ' ' HG2' ' A' ' 28' ' ' PRO . . . -97.14 129.04 44.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.546 ' CZ ' ' HE3' ' A' ' 75' ' ' LYS . 31.6 p90 -137.27 136.12 37.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 51.9 p-10 -125.37 -174.9 3.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -55.4 -23.88 27.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.853 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.454 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 61.3 t -77.19 -41.6 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.169 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.41 ' N ' HG12 ' A' ' 27' ' ' VAL . . . 166.84 -153.68 23.56 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.472 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.483 ' O ' HG21 ' A' ' 27' ' ' VAL . 13.3 mt-10 -107.77 179.92 4.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.911 0.386 . . . . 0.0 110.897 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -129.2 -144.92 5.8 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.486 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.484 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -106.6 119.22 52.33 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.651 0.739 . . . . 0.0 111.098 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 164.22 35.36 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.662 2.241 . . . . 0.0 112.367 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.808 ' O ' HG22 ' A' ' 97' ' ' THR . 10.3 mt -109.09 -177.97 3.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.939 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -136.8 120.45 17.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -131.18 174.84 9.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 45.2 p -139.08 133.78 32.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -144.37 121.44 11.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 82.9 t -109.36 107.58 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 34.7 p -57.77 132.37 53.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.144 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 46.6 mtp180 -62.08 151.5 80.65 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.603 0.716 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 121.37 8.05 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.708 2.272 . . . . 0.0 112.374 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -57.59 141.35 48.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 45.4 p -140.66 119.29 12.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 42.0 t -101.47 87.75 3.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.41 ' HA2' ' HD2' ' A' ' 123' ' ' PRO . . . -164.93 98.31 0.15 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.493 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.41 ' HD2' ' HA2' ' A' ' 122' ' ' GLY . 54.1 Cg_endo -69.75 -28.48 25.23 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.653 2.236 . . . . 0.0 112.385 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.7 t -48.26 -55.98 9.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 38.9 m -94.97 150.01 20.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.84 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.478 -179.978 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -163.15 120.0 1.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.881 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.3 p -169.37 123.74 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.836 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.48 178.4 39.09 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.518 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 m -116.82 159.74 21.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.856 0.36 . . . . 0.0 110.838 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.5 p -96.29 176.15 6.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.42 89.01 0.42 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.509 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 150.43 68.04 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.665 2.243 . . . . 0.0 112.341 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.79 169.19 16.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.64 HG23 ' O ' ' A' ' 10' ' ' THR . 8.0 t -70.64 93.7 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -96.52 40.9 1.12 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.1 p90 -169.94 162.35 9.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -174.67 166.88 3.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 61.3 p -127.64 -53.31 1.35 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -100.98 145.34 28.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.075 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -110.34 110.16 20.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.3 t -165.19 156.06 14.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 25.5 p90 -166.07 157.27 13.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.696 ' HB3' HD11 ' A' ' 22' ' ' LEU . 51.5 mm-40 -85.12 -177.76 6.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.429 ' N ' HD21 ' A' ' 22' ' ' LEU . 11.3 t -156.46 129.61 8.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 71.12 53.63 0.24 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.696 HD11 ' HB3' ' A' ' 19' ' ' GLU . 0.4 OUTLIER -101.7 165.71 11.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.42 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.9 OUTLIER -91.0 125.15 35.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.77 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.492 ' O ' ' CG2' ' A' ' 104' ' ' VAL . 14.5 tt0 -123.97 28.31 6.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 65.7 p -101.07 -23.31 14.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.155 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.3 ptt-85 -120.5 145.67 47.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.46 HG12 ' N ' ' A' ' 105' ' ' GLY . 11.5 m -76.91 148.38 78.84 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.636 0.731 . . . . 0.0 111.133 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 101.96 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.713 2.276 . . . . 0.0 112.327 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -56.62 177.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.5 p -38.0 130.55 0.96 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.617 0.723 . . . . 0.0 111.147 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.423 ' HG2' ' CD1' ' A' ' 110' ' ' LEU . 54.0 Cg_endo -69.75 171.17 14.95 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.694 2.263 . . . . 0.0 112.357 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.5 t -45.92 -56.02 6.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.4 m -169.13 -176.26 2.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.451 HD22 ' HB3' ' A' ' 98' ' ' LEU . 4.6 tp -155.71 117.13 3.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 23.2 t-80 -107.44 142.76 36.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.683 HG11 ' HB ' ' A' ' 96' ' ' ILE . 27.9 m -132.55 130.12 59.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.419 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 3.8 tmt_? -112.16 107.97 55.39 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.575 0.702 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.528 ' HB3' ' HB1' ' A' ' 114' ' ' ALA . 53.8 Cg_endo -69.79 128.87 16.62 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.683 2.255 . . . . 0.0 112.34 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.473 HD13 HG23 ' A' ' 44' ' ' VAL . 2.5 mp -121.93 154.33 37.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.536 HG12 HG23 ' A' ' 41' ' ' THR . 44.5 t -31.44 -73.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.536 HG23 HG12 ' A' ' 40' ' ' VAL . 72.9 p -115.35 25.67 10.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.149 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.435 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 6.9 m -151.17 178.89 8.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.435 ' CG1' ' O ' ' A' ' 42' ' ' SER . 40.0 mt -158.38 112.52 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.103 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.631 HG13 ' CD2' ' A' ' 82' ' ' TYR . 96.8 t -83.91 99.45 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.41 HG13 HG12 ' A' ' 36' ' ' VAL . 86.2 t -90.76 100.21 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.151 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.401 ' HA ' ' CB ' ' A' ' 82' ' ' TYR . 10.4 p -101.11 139.65 36.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.554 ' CZ3' ' HA ' ' A' ' 82' ' ' TYR . 47.2 p90 -138.96 -179.89 6.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 56.3 p -143.54 152.71 57.32 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.603 0.716 . . . . 0.0 111.14 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 161.52 45.59 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.668 2.245 . . . . 0.0 112.394 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 127.0 14.0 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.718 2.279 . . . . 0.0 112.324 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -42.11 -36.37 1.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -70.48 97.51 1.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -83.31 37.74 0.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -122.39 -20.91 5.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 44.9 mt -85.81 128.23 39.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.503 HG22 ' HB2' ' A' ' 22' ' ' LEU . 84.7 t -71.28 107.41 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 64.3 t -103.59 114.29 42.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.069 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.425 ' HB3' ' NH1' ' A' ' 58' ' ' ARG . 4.7 mmm180 -81.93 -44.19 17.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -172.03 -179.2 42.8 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.487 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.507 ' HB3' HD11 ' A' ' 98' ' ' LEU . 19.5 m-85 -125.45 168.73 13.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.915 0.388 . . . . 0.0 110.894 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -130.58 122.06 26.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.099 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.405 HD11 ' CZ3' ' A' ' 47' ' ' TRP . 16.8 mt -100.15 137.95 26.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.104 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -135.57 124.28 3.27 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.412 ' CD1' ' N ' ' A' ' 64' ' ' TYR . 3.5 p90 -125.5 172.04 10.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.935 0.398 . . . . 0.0 110.89 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 153.56 145.47 4.16 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.515 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.74 HD11 ' CZ ' ' A' ' 94' ' ' TYR . 47.1 mm -57.67 105.69 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.843 0.354 . . . . 0.0 111.15 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 77.37 -48.02 2.77 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.522 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 26.0 m -115.82 121.05 34.74 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.595 0.712 . . . . 0.0 110.867 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 1.4 4.48 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.666 2.244 . . . . 0.0 112.352 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.406 ' O ' ' CG ' ' A' ' 70' ' ' HIS . 0.0 OUTLIER -86.53 42.8 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -107.95 -53.96 2.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -139.58 153.33 47.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.4 m -135.81 130.05 33.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.176 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 70.1 mt -117.33 117.03 53.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.1 mttt -99.3 123.63 43.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 34.9 m -138.99 162.36 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.146 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.24 158.53 7.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.826 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.426 ' CD2' ' N ' ' A' ' 79' ' ' LYS . 52.0 p90 -61.73 -50.44 72.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.426 ' N ' ' CD2' ' A' ' 78' ' ' TYR . 35.8 mttt -36.59 -50.21 0.79 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.867 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.443 ' O ' ' CZ2' ' A' ' 47' ' ' TRP . 52.6 mm-40 -37.46 112.48 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.966 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 12.0 tpp85 -74.17 -40.64 62.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.631 ' CD2' HG13 ' A' ' 44' ' ' VAL . 18.8 p90 -155.69 165.73 35.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -130.23 142.01 50.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.949 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 61.7 m -105.19 105.07 14.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.112 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 29.2 mt -87.6 105.43 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -101.97 170.94 7.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 73.89 45.74 0.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 29.4 mt -119.98 157.71 28.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.14 121.32 83.78 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.596 0.712 . . . . 0.0 110.876 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.481 ' CG ' ' HB3' ' A' ' 119' ' ' HIS . 54.0 Cg_endo -69.77 171.7 14.0 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.71 2.274 . . . . 0.0 112.321 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.3 p 50.31 54.99 10.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.823 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.2 m -156.42 148.0 22.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.815 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -92.92 117.59 30.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.74 ' CZ ' HD11 ' A' ' 66' ' ' ILE . 21.9 m-85 -108.86 151.06 26.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.953 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 58.6 t -110.16 107.38 22.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.159 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.683 ' HB ' HG11 ' A' ' 36' ' ' VAL . 3.4 mp -96.2 136.96 25.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 72.5 p -135.51 142.82 45.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.158 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.521 HD22 ' CB ' ' A' ' 47' ' ' TRP . 3.3 tp -134.58 144.53 47.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.919 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -147.28 130.45 16.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.87 125.3 29.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.531 ' CB ' ' HB3' ' A' ' 106' ' ' GLU . 3.8 p90 -127.67 144.27 51.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' A' ' 105' ' ' GLY . 40.8 p-10 -136.43 -175.04 3.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -48.31 -42.74 31.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 41.7 t -68.65 -49.8 61.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.46 ' N ' HG12 ' A' ' 27' ' ' VAL . . . 164.63 -165.2 37.32 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.538 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.531 ' HB3' ' CB ' ' A' ' 101' ' ' PHE . 1.4 pm0 -117.81 166.3 12.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.924 0.393 . . . . 0.0 110.908 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -107.09 -131.74 6.78 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.504 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.555 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -102.68 128.84 27.1 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.602 0.715 . . . . 0.0 111.155 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 168.87 20.26 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.765 2.31 . . . . 0.0 112.361 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.423 ' CD1' ' HG2' ' A' ' 31' ' ' PRO . 25.3 mt -109.07 155.89 20.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -113.57 127.85 56.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -137.45 179.55 6.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 25.3 p -142.22 146.46 35.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.528 ' HB1' ' HB3' ' A' ' 38' ' ' PRO . . . -156.71 119.94 4.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 85.2 t -99.53 98.41 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.129 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 117' ' ' ARG . 16.0 p -44.47 122.61 3.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 116' ' ' THR . 6.5 mmm180 -36.75 144.29 0.29 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.619 0.723 . . . . 0.0 110.866 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 100.96 0.85 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.695 2.264 . . . . 0.0 112.354 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.481 ' HB3' ' CG ' ' A' ' 90' ' ' PRO . 55.7 t60 -89.83 44.89 1.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 92.6 m -139.12 110.56 7.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.143 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 69.3 m -150.56 126.75 10.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.81 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -67.73 165.34 44.76 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.474 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -179.43 2.92 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.645 2.23 . . . . 0.0 112.361 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 65.1 m -157.82 130.12 7.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.825 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 5.3 t -88.06 107.41 18.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.451 -179.993 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.0 t0 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.822 0.344 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.487 ' CG ' ' OD1' ' A' ' 103' ' ' ASN . 19.2 tt0 -120.82 18.58 11.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.9 t -93.17 -10.75 34.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.171 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.435 ' HA ' HG11 ' A' ' 104' ' ' VAL . 0.4 OUTLIER -137.16 165.7 25.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.526 HG12 ' N ' ' A' ' 105' ' ' GLY . 21.2 m -84.2 145.82 46.73 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.574 0.702 . . . . 0.0 111.165 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 103.39 1.15 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.729 2.286 . . . . 0.0 112.333 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -56.97 170.95 0.39 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.674 HG23 ' HD2' ' A' ' 31' ' ' PRO . 4.6 p -38.24 138.81 0.69 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.657 0.741 . . . . 0.0 111.125 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.674 ' HD2' HG23 ' A' ' 30' ' ' VAL . 53.9 Cg_endo -69.74 169.82 18.0 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.652 2.235 . . . . 0.0 112.373 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 54.5 p -49.42 -46.81 48.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.838 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -174.94 -176.28 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.4 tp -153.61 117.88 4.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 -108.34 143.7 36.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.1 m -133.46 138.46 51.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.077 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.411 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 22.6 ttt85 -120.69 107.84 37.93 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.606 0.717 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 37' ' ' ARG . 53.6 Cg_endo -69.74 129.83 18.31 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.7 2.267 . . . . 0.0 112.389 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.475 ' O ' HG22 ' A' ' 116' ' ' THR . 2.9 mp -122.44 154.29 37.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.627 HG12 HG23 ' A' ' 41' ' ' THR . 60.7 t -31.88 -72.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.068 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.627 HG23 HG12 ' A' ' 40' ' ' VAL . 67.3 p -117.22 24.37 11.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.124 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.476 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 15.5 m -148.19 -179.26 6.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.828 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.476 ' CG1' ' O ' ' A' ' 42' ' ' SER . 44.4 mt -159.72 109.54 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.153 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.461 HG23 HD13 ' A' ' 39' ' ' LEU . 72.5 t -82.71 97.72 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.162 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 64.4 t -87.57 101.87 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.45 ' HA ' ' CB ' ' A' ' 82' ' ' TYR . 53.0 p -106.14 125.23 50.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.557 ' CZ3' ' HA ' ' A' ' 82' ' ' TYR . 49.1 p90 -121.6 -179.68 4.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.953 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.8 p -144.04 144.18 25.41 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.601 0.715 . . . . 0.0 111.12 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 164.61 33.88 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.641 2.227 . . . . 0.0 112.346 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 51' ' ' GLU . 53.6 Cg_endo -69.75 133.51 25.76 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.735 2.29 . . . . 0.0 112.31 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 50' ' ' PRO . 5.3 mp0 -34.85 -45.75 0.27 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -71.09 109.69 5.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -95.34 37.4 1.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -115.67 -26.58 7.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 25.0 mt -73.09 128.11 35.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.148 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 63.0 t -67.98 110.05 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.643 HG11 ' CZ ' ' A' ' 60' ' ' TYR . 90.9 t -108.64 113.19 43.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.131 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -77.04 -47.93 19.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -173.76 176.35 46.31 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.51 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.643 ' CZ ' HG11 ' A' ' 57' ' ' VAL . 12.2 m-85 -124.64 170.65 10.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.879 0.371 . . . . 0.0 110.923 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.501 ' HB2' ' HE2' ' A' ' 75' ' ' LYS . . . -122.57 137.59 54.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.053 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 23.8 mt -117.94 107.81 22.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -102.48 132.85 11.15 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 47.7 p90 -138.39 158.52 44.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.916 0.389 . . . . 0.0 110.933 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 149.74 142.5 3.59 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.515 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.595 HD11 ' CZ ' ' A' ' 94' ' ' TYR . 4.3 mp -68.16 117.93 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.867 0.365 . . . . 0.0 111.142 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 100.63 -43.24 1.78 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 t -159.29 141.1 9.77 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.664 0.745 . . . . 0.0 110.847 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.479 ' HG3' HG21 ' A' ' 97' ' ' THR . 54.2 Cg_endo -69.73 -23.28 31.11 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.689 2.259 . . . . 0.0 112.341 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -52.97 -28.61 24.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -41.04 -64.56 0.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.057 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -132.67 152.1 51.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 89.0 m -136.78 141.46 42.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.141 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 72.7 mt -125.69 126.53 70.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.501 ' HE2' ' HB2' ' A' ' 61' ' ' ALA . 27.9 mmtp -107.98 137.88 45.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 24.6 m -137.77 -174.98 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.11 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -93.93 154.57 17.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.467 ' CD1' ' N ' ' A' ' 79' ' ' LYS . 20.2 p90 -47.79 -53.31 15.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.467 ' N ' ' CD1' ' A' ' 78' ' ' TYR . 4.7 mtpm? -37.55 -47.68 0.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.428 ' OE1' ' N ' ' A' ' 80' ' ' GLN . 2.4 mp0 -53.02 127.19 23.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -100.01 -33.7 10.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.557 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 39.6 p90 -148.1 157.8 43.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.968 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -126.8 128.34 46.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 96.9 m -97.37 93.58 6.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.144 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.408 ' HB ' HD11 ' A' ' 88' ' ' LEU . 32.2 mt -73.8 104.75 2.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.173 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.456 ' C ' ' CG ' ' A' ' 87' ' ' ASN . 47.5 mt-10 -92.86 -176.02 4.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.456 ' CG ' ' C ' ' A' ' 86' ' ' GLU . 0.5 OUTLIER 48.5 52.68 13.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.435 ' CD1' HG13 ' A' ' 43' ' ' ILE . 57.7 mt -109.25 -176.17 2.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -108.41 118.65 51.69 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.615 0.722 . . . . 0.0 110.863 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 165.23 31.63 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.685 2.256 . . . . 0.0 112.338 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.6 m 53.32 49.62 19.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.3 m -153.98 133.02 12.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.864 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -79.3 112.23 16.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.834 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.595 ' CZ ' HD11 ' A' ' 66' ' ' ILE . 16.9 m-85 -102.09 125.57 48.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 87.2 t -89.01 103.39 13.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.139 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.452 HD12 ' O ' ' A' ' 94' ' ' TYR . 4.5 mp -95.72 133.13 37.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.635 HG22 ' O ' ' A' ' 110' ' ' LEU . 37.3 p -123.63 162.79 22.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.516 HD22 ' CB ' ' A' ' 47' ' ' TRP . 11.1 tp -148.54 129.8 14.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.424 ' HG2' ' HB3' ' A' ' 61' ' ' ALA . 14.6 ptpt -138.02 136.31 36.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.47 128.49 36.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 43.9 p90 -132.7 144.96 50.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 40.7 p-10 -141.63 -175.8 4.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.487 ' OD1' ' CG ' ' A' ' 24' ' ' GLU . 5.7 p-10 -53.54 -31.92 48.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.435 HG11 ' HA ' ' A' ' 26' ' ' ARG . 99.0 t -69.95 -44.62 78.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.162 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.526 ' N ' HG12 ' A' ' 27' ' ' VAL . . . 164.23 -170.51 39.47 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -97.45 156.69 16.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.952 0.406 . . . . 0.0 110.834 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -105.8 -150.73 19.15 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.534 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.536 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -101.14 125.43 38.08 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.653 0.74 . . . . 0.0 111.119 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 161.34 46.32 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.671 2.248 . . . . 0.0 112.401 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.635 ' O ' HG22 ' A' ' 97' ' ' THR . 40.9 mt -110.05 163.78 13.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.915 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -122.78 124.49 43.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.975 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -133.38 178.34 6.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 25.1 p -141.66 138.43 32.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -149.25 111.05 4.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.053 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 58.1 t -98.68 108.41 22.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.475 HG22 ' O ' ' A' ' 39' ' ' LEU . 12.3 p -59.23 138.32 57.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -64.04 150.08 92.57 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.581 0.705 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--O 1.232 0.208 0 C-N-CA 122.672 2.248 . . . . 0.0 112.335 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.8 t70 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.763 0.316 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -120.06 30.04 7.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.3 t -105.2 -18.19 14.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.672 ' CA ' HG11 ' A' ' 104' ' ' VAL . 24.5 ptt180 -126.83 170.41 12.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.821 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.56 HG12 ' N ' ' A' ' 105' ' ' GLY . 19.1 m -93.21 147.62 34.13 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.611 0.719 . . . . 0.0 111.138 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.423 ' HD3' ' CG ' ' A' ' 102' ' ' ASN . 53.9 Cg_endo -69.69 102.02 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.664 2.242 . . . . 0.0 112.385 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 30' ' ' VAL . 6.0 mm-40 -53.13 169.59 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.501 HG23 ' HD2' ' A' ' 31' ' ' PRO . 7.5 p -37.87 134.66 0.83 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.652 0.739 . . . . 0.0 111.107 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.501 ' HD2' HG23 ' A' ' 30' ' ' VAL . 53.8 Cg_endo -69.71 -179.97 3.26 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.689 2.26 . . . . 0.0 112.341 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.42 ' OG ' ' N ' ' A' ' 33' ' ' SER . 3.6 p -51.12 -58.23 6.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.814 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.42 ' N ' ' OG ' ' A' ' 32' ' ' SER . 79.7 p -166.11 -175.0 3.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.818 ' HB3' HD13 ' A' ' 110' ' ' LEU . 2.7 tp -153.58 119.84 5.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.93 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -105.77 149.82 26.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.0 m -137.88 138.39 44.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.402 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 21.4 ttt180 -124.48 109.25 28.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.661 0.743 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 37' ' ' ARG . 54.3 Cg_endo -69.73 128.02 15.45 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.668 2.245 . . . . 0.0 112.394 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.491 ' O ' ' C ' ' A' ' 40' ' ' VAL . 4.7 mp -121.37 154.65 36.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.562 HG12 HG23 ' A' ' 41' ' ' THR . 59.3 t -30.21 -72.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.562 HG23 HG12 ' A' ' 40' ' ' VAL . 29.6 p -119.47 24.63 10.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.466 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 17.5 p -148.46 -178.4 6.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.82 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.466 ' CG1' ' O ' ' A' ' 42' ' ' SER . 52.7 mt -159.25 108.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.119 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.504 HG13 ' CD2' ' A' ' 82' ' ' TYR . 87.2 t -77.83 95.19 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.101 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.9 t -85.07 101.69 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 41.3 p -103.99 126.77 51.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.601 ' CB ' HD22 ' A' ' 98' ' ' LEU . 48.3 p90 -126.36 -175.31 3.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.4 p -145.88 156.83 51.53 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.562 0.696 . . . . 0.0 111.176 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 161.08 47.29 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.668 2.246 . . . . 0.0 112.406 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 142.73 48.69 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.708 2.272 . . . . 0.0 112.345 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -50.48 -47.11 57.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.845 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -83.92 98.06 9.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 54' ' ' ASN . 17.2 mm100 -71.51 -35.44 70.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 53' ' ' GLN . 2.0 m-80 -35.28 -41.5 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 56.2 mt -69.26 131.01 34.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 93.2 t -65.06 143.31 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.128 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.1 t -140.76 113.32 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -82.24 -38.84 23.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -178.14 -169.96 39.68 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.513 ' CD1' ' HA ' ' A' ' 78' ' ' TYR . 17.2 m-85 -134.17 150.92 51.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.872 0.368 . . . . 0.0 110.914 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -111.86 131.2 55.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.077 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.536 HD11 ' CH2' ' A' ' 47' ' ' TRP . 18.9 mt -109.56 135.21 49.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -130.29 137.37 9.47 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -143.2 144.59 32.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.909 0.385 . . . . 0.0 110.92 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 176.67 132.88 1.71 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.52 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 43.5 mt -60.4 105.13 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.83 0.347 . . . . 0.0 111.105 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 106.6 -40.14 2.61 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.487 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.7 t -158.34 141.5 10.83 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.648 0.737 . . . . 0.0 110.877 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 2.34 3.58 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.688 2.259 . . . . 0.0 112.353 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -86.68 41.58 0.96 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -114.35 -49.28 2.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 55.5 mm-40 -141.04 157.88 44.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.6 m -141.51 129.82 22.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 91.4 mt -123.95 108.29 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -97.12 123.67 40.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.922 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 33.4 m -136.22 155.83 35.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.112 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -44.85 153.44 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.513 ' HA ' ' CD1' ' A' ' 60' ' ' TYR . 52.5 p90 -59.54 -48.07 83.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 80' ' ' GLN . 8.6 mtmp? -39.52 -47.12 1.83 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 79' ' ' LYS . 6.4 mm-40 -35.4 112.01 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -78.35 -38.17 42.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.844 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.504 ' CD2' HG13 ' A' ' 44' ' ' VAL . 24.1 p90 -157.79 162.55 38.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -132.7 141.03 48.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 50.2 m -103.71 94.22 5.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.17 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 59.8 mt -68.47 117.58 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -105.44 179.74 4.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 67.26 44.26 1.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 64.6 mt -118.15 166.5 12.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -111.38 136.13 20.98 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.575 0.702 . . . . 0.0 110.902 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 161.14 47.07 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.404 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 m 62.02 46.51 6.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 42.4 m -152.06 133.55 14.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.805 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.439 ' CE1' ' CG2' ' A' ' 95' ' ' VAL . 4.4 t-80 -80.0 131.8 35.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.877 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.553 ' O ' HD12 ' A' ' 96' ' ' ILE . 61.3 m-85 -124.23 120.77 33.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.439 ' CG2' ' CE1' ' A' ' 93' ' ' HIS . 99.7 t -85.71 109.83 18.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.157 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.553 HD12 ' O ' ' A' ' 94' ' ' TYR . 4.2 mp -100.3 135.3 36.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.793 HG22 ' O ' ' A' ' 110' ' ' LEU . 38.5 p -128.95 145.14 51.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.601 HD22 ' CB ' ' A' ' 47' ' ' TRP . 11.9 tp -131.67 132.86 44.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.0 ptpp? -136.53 127.26 27.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 107' ' ' GLY . . . -83.03 122.66 28.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.087 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -122.26 168.83 11.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.423 ' CG ' ' HD3' ' A' ' 28' ' ' PRO . 43.0 p-10 -161.44 -175.13 4.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -52.8 -34.41 53.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.672 HG11 ' CA ' ' A' ' 26' ' ' ARG . 99.1 t -65.88 -49.28 78.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.56 ' N ' HG12 ' A' ' 27' ' ' VAL . . . 178.07 -129.47 1.43 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.47 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.429 ' O ' HG21 ' A' ' 27' ' ' VAL . 26.6 mt-10 -130.99 158.62 39.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.886 0.374 . . . . 0.0 110.867 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 100' ' ' ALA . . . -102.1 -175.0 27.75 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.523 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 6.1 mm -82.29 127.47 71.11 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.621 0.724 . . . . 0.0 111.116 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.421 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 53.6 Cg_endo -69.72 162.66 41.19 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.738 2.292 . . . . 0.0 112.327 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.818 HD13 ' HB3' ' A' ' 34' ' ' LEU . 32.9 mt -110.43 178.85 4.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.965 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -139.15 115.01 10.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -129.05 176.38 7.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 52.8 p -140.97 134.29 29.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -144.2 114.22 7.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.096 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 97.5 t -99.4 96.07 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.087 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 23.0 p -41.54 141.4 0.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.18 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 48.3 mtt-85 -51.11 157.09 1.57 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.594 0.712 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.163 0 C-N-CA 122.688 2.259 . . . . 0.0 112.357 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.838 0.351 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -128.09 32.46 4.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 65.6 p -106.87 -19.86 13.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.142 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -123.44 150.65 43.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.836 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.515 HG12 ' N ' ' A' ' 105' ' ' GLY . 29.6 m -77.95 148.36 75.29 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.662 0.744 . . . . 0.0 111.137 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.485 ' HD3' ' ND2' ' A' ' 102' ' ' ASN . 54.2 Cg_endo -69.69 102.84 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.718 2.279 . . . . 0.0 112.31 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -49.23 179.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.661 HG23 ' HD2' ' A' ' 31' ' ' PRO . 4.7 p -47.83 138.85 9.51 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.618 0.723 . . . . 0.0 111.134 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.661 ' HD2' HG23 ' A' ' 30' ' ' VAL . 53.7 Cg_endo -69.73 167.58 23.98 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.725 2.283 . . . . 0.0 112.316 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -48.75 -50.14 35.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 t -174.07 -176.99 1.24 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.843 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 tp -153.98 110.11 3.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -98.2 141.75 30.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.823 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.4 m -128.16 139.31 52.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.57 ' HG3' HD12 ' A' ' 39' ' ' LEU . 15.3 tpp180 -123.72 107.72 31.24 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.652 0.739 . . . . 0.0 110.838 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 37' ' ' ARG . 53.6 Cg_endo -69.81 127.77 15.02 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.674 2.25 . . . . 0.0 112.358 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.704 ' CD1' HG23 ' A' ' 44' ' ' VAL . 5.0 mp -121.87 154.4 37.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.648 HG12 HG23 ' A' ' 41' ' ' THR . 94.9 t -31.18 -71.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.648 HG23 HG12 ' A' ' 40' ' ' VAL . 43.9 p -119.12 23.68 11.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.104 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.5 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 1.4 t -147.47 -177.85 5.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.871 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.5 ' CG1' ' O ' ' A' ' 42' ' ' SER . 23.1 mt -160.76 105.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.704 HG23 ' CD1' ' A' ' 39' ' ' LEU . 2.6 t -77.62 97.92 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 72.0 t -86.64 100.09 9.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.11 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 85.3 p -105.3 124.55 49.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.518 ' CZ2' ' O ' ' A' ' 80' ' ' GLN . 45.2 p90 -125.43 -176.36 3.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.4 p -137.7 153.92 74.43 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.571 0.701 . . . . 0.0 111.143 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 161.77 44.66 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.698 2.265 . . . . 0.0 112.338 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 122.81 9.49 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.672 2.248 . . . . 0.0 112.34 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.5 mp0 -39.26 -41.37 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -71.12 108.09 4.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -93.29 35.04 1.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.945 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -113.6 -26.95 8.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.471 HD13 ' HA ' ' A' ' 28' ' ' PRO . 12.4 mt -84.47 127.38 39.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.166 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 77.2 t -68.79 118.41 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.1 t -107.03 125.66 63.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -96.98 -32.48 11.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 175.93 -177.37 47.62 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.448 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -133.0 165.53 24.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.914 0.388 . . . . 0.0 110.882 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.36 125.56 45.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.095 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.404 HD11 ' CH2' ' A' ' 47' ' ' TRP . 14.4 mt -111.34 108.53 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -100.55 142.83 16.01 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.483 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -144.94 155.47 43.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.911 0.386 . . . . 0.0 110.918 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.469 ' HA3' ' HB3' ' A' ' 71' ' ' ALA . . . 169.08 156.04 10.3 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.449 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.823 HD11 ' CZ ' ' A' ' 94' ' ' TYR . 47.3 mm -78.32 88.36 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.872 0.368 . . . . 0.0 111.133 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.67 -35.32 4.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.47 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 70.9 m -153.96 141.85 13.91 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.71 0.767 . . . . 0.0 110.839 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 0.33 5.78 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.372 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.426 ' O ' ' C ' ' A' ' 71' ' ' ALA . 23.4 m-70 -76.59 -33.72 58.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.469 ' HB3' ' HA3' ' A' ' 65' ' ' GLY . . . -35.32 -61.45 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.09 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -141.4 155.77 45.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.6 m -140.71 134.62 30.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.132 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 86.6 mt -122.31 112.85 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 44.0 mttp -100.37 134.64 43.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.2 m -132.21 176.71 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.69 -179.53 0.88 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -86.54 -15.9 38.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 63.6 mttt -87.13 34.92 0.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.907 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.518 ' O ' ' CZ2' ' A' ' 47' ' ' TRP . 60.2 mm-40 -121.32 115.69 23.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -85.14 -39.4 17.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -145.01 162.3 37.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -141.69 133.88 27.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.933 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 52.7 m -96.82 111.4 23.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.12 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 70.4 mt -91.08 98.24 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.122 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -93.65 176.31 6.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 70.32 44.67 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.853 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 85.8 mt -115.57 171.06 7.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -100.17 122.96 48.55 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.598 0.713 . . . . 0.0 110.866 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 157.34 60.66 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.644 2.23 . . . . 0.0 112.344 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 37.2 t 64.43 47.08 3.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.7 m -155.27 141.34 18.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -79.5 135.71 36.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.823 ' CZ ' HD11 ' A' ' 66' ' ' ILE . 24.9 m-85 -128.14 131.01 48.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 65.5 t -96.53 122.01 47.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.16 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.55 ' N ' HD12 ' A' ' 96' ' ' ILE . 4.0 mp -112.11 135.33 51.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.783 HG22 ' O ' ' A' ' 110' ' ' LEU . 22.7 p -130.31 145.19 51.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 5.3 tp -136.58 136.33 39.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.0 ptpp? -139.85 132.06 28.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -80.94 123.0 27.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 101' ' ' PHE . 9.0 p90 -124.81 162.67 23.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.485 ' ND2' ' HD3' ' A' ' 28' ' ' PRO . 42.6 p-10 -159.2 -175.91 5.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -51.93 -34.65 42.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 52.6 t -65.45 -48.44 82.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.137 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.515 ' N ' HG12 ' A' ' 27' ' ' VAL . . . 173.26 -129.56 1.7 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.512 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -133.03 158.07 43.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.895 0.378 . . . . 0.0 110.876 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -105.07 -167.08 24.05 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.461 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 5.3 mm -85.15 124.32 72.26 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.613 0.72 . . . . 0.0 111.136 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 167.85 23.2 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.668 2.245 . . . . 0.0 112.355 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.783 ' O ' HG22 ' A' ' 97' ' ' THR . 67.2 mt -118.38 176.35 5.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -136.14 125.44 24.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.945 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -134.6 174.51 10.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 71.8 p -138.24 135.32 35.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -145.25 115.04 7.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.098 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 80.1 t -102.01 102.12 13.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 40.8 p -48.22 146.08 2.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 26.6 mtp180 -74.53 158.04 85.51 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.61 0.719 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.19 0 C-N-CA 122.691 2.261 . . . . 0.0 112.374 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.806 0.336 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.635 ' O ' HG21 ' A' ' 104' ' ' VAL . 39.2 tt0 -83.55 -34.36 25.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 64.4 p -43.11 -23.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 24' ' ' GLU . 9.5 ptp180 -106.09 145.47 31.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.4 m -82.41 148.93 60.3 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.621 0.724 . . . . 0.0 111.129 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 102.55 1.04 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.715 2.277 . . . . 0.0 112.323 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -56.69 -179.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.556 ' CG2' HD21 ' A' ' 110' ' ' LEU . 0.4 OUTLIER -43.92 133.21 4.1 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.599 0.714 . . . . 0.0 111.157 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 167.18 25.22 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.719 2.279 . . . . 0.0 112.31 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -43.54 -54.12 5.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.5 p -172.73 179.27 2.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.837 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.857 HD23 ' OE1' ' A' ' 112' ' ' GLU . 1.9 tp -146.62 119.53 8.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 21.3 t-80 -110.68 147.99 33.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 23.7 m -138.13 161.1 32.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.431 ' C ' ' HD3' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -140.05 109.61 7.05 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.636 0.731 . . . . 0.0 110.887 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.527 ' HB3' ' HB1' ' A' ' 114' ' ' ALA . 53.4 Cg_endo -69.79 120.11 6.94 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.677 2.251 . . . . 0.0 112.317 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.47 ' O ' ' C ' ' A' ' 40' ' ' VAL . 4.9 mp -115.86 154.09 30.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.95 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.613 HG12 HG23 ' A' ' 41' ' ' THR . 74.8 t -31.95 -75.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.143 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.613 HG23 HG12 ' A' ' 40' ' ' VAL . 17.1 p -113.1 23.34 13.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.158 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.504 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 1.2 p -149.15 -178.96 6.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.504 ' CG1' ' O ' ' A' ' 42' ' ' SER . 22.0 mt -160.6 108.17 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.419 HG23 HD13 ' A' ' 39' ' ' LEU . 96.6 t -75.08 118.55 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.7 t -108.56 102.41 13.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.8 p -109.0 128.33 54.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.823 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.565 ' CZ2' ' O ' ' A' ' 80' ' ' GLN . 41.7 p90 -128.67 -178.72 4.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.6 p -139.77 153.15 69.7 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.525 0.679 . . . . 0.0 111.189 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 157.33 60.75 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.699 2.266 . . . . 0.0 112.326 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 126.55 13.47 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.694 2.263 . . . . 0.0 112.382 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -47.44 -25.62 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -86.4 94.34 9.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 -77.98 -17.7 56.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -54.91 -29.33 55.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 10.7 mt -89.22 137.98 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.156 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.8 t -81.48 133.3 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.126 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.0 t -119.65 130.55 73.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.8 mmp_? -100.72 -28.7 12.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.522 ' C ' ' CE1' ' A' ' 101' ' ' PHE . . . 173.45 177.23 42.53 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -123.92 164.61 18.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.913 0.387 . . . . 0.0 110.897 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.488 ' HB3' ' HG3' ' A' ' 99' ' ' LYS . . . -121.71 116.13 23.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.118 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.1 mt -99.02 143.3 13.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -137.4 145.91 17.7 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.513 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.453 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 5.8 p90 -147.95 158.52 44.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.905 0.383 . . . . 0.0 110.898 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 154.46 147.46 4.68 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.492 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 15.7 mt -69.87 110.04 2.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.855 0.359 . . . . 0.0 111.183 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 98.88 -47.58 1.38 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.8 m -148.0 140.28 14.49 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.622 0.725 . . . . 0.0 110.859 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.52 ' HG3' HG21 ' A' ' 97' ' ' THR . 53.5 Cg_endo -69.81 -23.12 30.95 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.67 2.247 . . . . 0.0 112.315 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -44.71 -25.6 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 64' ' ' TYR . . . -41.33 -71.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -134.04 148.69 51.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 63.3 m -128.94 124.92 36.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.174 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 50.0 mt -111.58 110.44 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.08 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 49.5 mttt -98.07 123.92 42.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 30.9 m -123.13 -176.13 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.166 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -71.85 -177.75 2.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -93.76 -4.05 51.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.7 mtmt -101.39 32.69 3.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.565 ' O ' ' CZ2' ' A' ' 47' ' ' TRP . 46.7 mm-40 -113.64 109.24 18.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -69.99 -42.3 73.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 18.4 p90 -151.1 165.68 33.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -135.84 137.37 41.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.951 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 88.5 m -100.33 114.01 27.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 33.1 mt -95.29 114.58 32.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.14 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -112.41 168.81 9.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 74.61 48.42 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 55.2 mt -119.14 166.94 12.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -89.68 121.82 68.71 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.63 0.729 . . . . 0.0 110.863 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 150.56 68.7 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.393 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.3 t 67.39 48.62 1.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.7 m -152.82 138.96 18.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -79.01 134.36 36.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -130.28 129.85 43.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 77.2 t -88.21 114.58 27.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.099 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 3.0 mp -101.19 130.31 50.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.1 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.52 HG21 ' HG3' ' A' ' 69' ' ' PRO . 31.1 p -129.17 154.94 46.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.558 HD22 ' CB ' ' A' ' 47' ' ' TRP . 4.9 tp -150.37 141.94 23.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.488 ' HG3' ' HB3' ' A' ' 61' ' ' ALA . 3.0 pttt -149.7 148.27 29.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -96.79 137.91 35.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.07 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.522 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 52.8 p90 -131.5 166.45 21.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 39.1 p-10 -151.0 -179.15 7.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -55.28 -14.48 1.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.635 HG21 ' O ' ' A' ' 24' ' ' GLU . 94.8 t -90.7 -49.94 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.149 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 172.16 -160.7 32.29 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.459 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -110.95 176.98 4.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.892 0.377 . . . . 0.0 110.872 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -122.44 -144.53 6.76 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.521 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.5 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -105.23 112.93 64.98 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.59 0.709 . . . . 0.0 111.19 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 167.07 25.44 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.676 2.25 . . . . 0.0 112.362 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.556 HD21 ' CG2' ' A' ' 30' ' ' VAL . 6.3 mt -108.75 167.13 10.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -118.67 132.94 56.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.857 ' OE1' HD23 ' A' ' 34' ' ' LEU . 2.3 mp0 -132.67 172.98 11.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 62.1 p -140.72 135.63 31.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.527 ' HB1' ' HB3' ' A' ' 38' ' ' PRO . . . -147.01 126.34 13.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 47.0 t -110.07 101.29 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.168 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 33.4 p -51.31 149.02 4.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 44.6 mtt180 -78.18 153.42 79.63 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.608 0.718 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.186 0 C-N-CA 122.678 2.252 . . . . 0.0 112.317 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 t0 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.811 0.338 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.798 ' O ' HG21 ' A' ' 104' ' ' VAL . 53.1 tt0 -105.61 -34.55 7.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.6 t -38.82 -26.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.131 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 24' ' ' GLU . 2.4 ptm85 -108.27 159.35 16.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.498 HG12 ' HB ' ' A' ' 104' ' ' VAL . 8.1 m -91.65 146.31 32.89 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.627 0.727 . . . . 0.0 111.109 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.417 ' HG2' ' C ' ' A' ' 100' ' ' ALA . 53.6 Cg_endo -69.8 123.9 10.54 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.644 2.229 . . . . 0.0 112.354 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -75.94 -177.46 3.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.517 ' CG2' HD21 ' A' ' 110' ' ' LEU . 0.8 OUTLIER -49.12 131.53 16.05 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.645 0.736 . . . . 0.0 111.138 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.685 ' HG2' HD11 ' A' ' 110' ' ' LEU . 53.7 Cg_endo -69.79 171.23 14.87 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.659 2.24 . . . . 0.0 112.329 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.2 p -45.66 -52.3 10.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 t -174.59 -176.01 1.0 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.512 HD22 ' HB3' ' A' ' 98' ' ' LEU . 2.5 tp -149.46 114.4 5.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -98.13 143.3 28.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.824 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.2 m -136.02 145.46 31.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.171 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -130.35 111.79 16.69 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.583 0.706 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 122.72 9.39 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.645 2.23 . . . . 0.0 112.332 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.481 ' O ' ' C ' ' A' ' 40' ' ' VAL . 5.2 mp -116.63 154.53 30.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.616 HG12 HG23 ' A' ' 41' ' ' THR . 78.4 t -30.98 -73.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.616 HG23 HG12 ' A' ' 40' ' ' VAL . 21.1 p -116.27 24.5 11.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.129 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.47 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 1.9 p -149.74 -177.8 6.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.47 ' CG1' ' O ' ' A' ' 42' ' ' SER . 20.9 mt -159.54 108.44 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.151 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 83.0 t -73.95 108.9 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.152 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 81.3 t -100.61 100.74 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.6 p -108.87 132.2 54.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.612 ' CB ' HD22 ' A' ' 98' ' ' LEU . 39.4 p90 -136.72 177.99 7.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.964 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -139.77 157.93 68.85 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.606 0.717 . . . . 0.0 111.113 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 157.86 58.93 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.673 2.248 . . . . 0.0 112.362 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.449 ' O ' ' N ' ' A' ' 52' ' ' ASN . 53.4 Cg_endo -69.75 133.79 26.43 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.719 2.279 . . . . 0.0 112.324 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 50' ' ' PRO . 34.2 mt-10 -37.23 -31.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.828 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 50' ' ' PRO . 31.0 t-20 -92.14 86.91 5.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -76.9 -19.39 57.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -51.28 -17.29 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 11.9 mt -91.8 144.39 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 77.7 t -82.73 139.53 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.48 HG12 ' H ' ' A' ' 59' ' ' GLY . 46.4 t -133.51 118.62 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.115 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -82.44 -10.35 59.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.48 ' H ' HG12 ' A' ' 57' ' ' VAL . . . 151.24 177.61 25.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.521 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -124.99 157.19 36.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.848 0.356 . . . . 0.0 110.981 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -113.09 129.37 56.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.101 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 17.1 mt -111.06 114.18 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.099 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -107.04 123.9 7.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.493 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -131.15 154.46 48.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.968 0.413 . . . . 0.0 110.908 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.56 ' HA3' ' HB3' ' A' ' 71' ' ' ALA . . . 165.42 145.9 4.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.514 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.478 HG13 ' CE2' ' A' ' 94' ' ' TYR . 58.8 mt -69.74 99.77 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.845 0.355 . . . . 0.0 111.139 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.36 -45.02 1.36 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.498 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 80.2 p -134.57 130.86 20.06 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.63 0.728 . . . . 0.0 110.855 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -18.95 36.79 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.699 2.266 . . . . 0.0 112.342 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -70.76 -21.56 62.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.56 ' HB3' ' HA3' ' A' ' 65' ' ' GLY . . . -39.31 -48.62 1.88 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.099 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -140.62 156.92 46.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.6 m -141.78 143.07 33.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 88.9 mt -138.6 109.17 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.155 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.3 mttp -97.09 120.49 37.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 29.4 m -126.58 157.66 37.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.126 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -49.06 177.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.514 ' CE1' ' HG2' ' A' ' 79' ' ' LYS . 30.1 p90 -79.64 -49.64 11.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.961 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.514 ' HG2' ' CE1' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -39.44 -30.88 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.947 179.868 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -60.87 124.13 19.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.7 ttm-85 -101.55 -27.46 13.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.837 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.495 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 9.4 p90 -151.64 164.92 35.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -140.8 137.82 33.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.985 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 83.4 m -97.99 97.54 9.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.552 ' CG2' HD11 ' A' ' 88' ' ' LEU . 61.8 mt -73.75 118.38 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -114.07 176.39 5.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 64.98 52.65 1.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.552 HD11 ' CG2' ' A' ' 85' ' ' ILE . 52.3 mt -123.23 169.15 11.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -98.4 127.04 37.38 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.572 0.701 . . . . 0.0 110.843 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 148.04 63.86 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.668 2.245 . . . . 0.0 112.333 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.3 t 67.32 45.02 1.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 t -143.75 142.34 30.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -83.7 133.79 34.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.818 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.478 ' CE2' HG13 ' A' ' 66' ' ' ILE . 24.1 m-85 -126.77 144.05 51.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 18.3 t -107.44 104.95 17.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.094 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.505 ' N ' HD12 ' A' ' 96' ' ' ILE . 2.3 mp -93.16 139.14 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.804 HG22 ' O ' ' A' ' 110' ' ' LEU . 7.8 p -135.84 133.81 38.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.612 HD22 ' CB ' ' A' ' 47' ' ' TRP . 4.8 tp -125.89 140.96 52.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.6 ptpt -151.33 140.21 20.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.417 ' C ' ' HG2' ' A' ' 28' ' ' PRO . . . -84.51 133.49 34.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.093 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -137.78 140.3 40.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.897 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 45.3 p-10 -126.19 -175.38 3.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -53.39 -19.08 3.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.798 HG21 ' O ' ' A' ' 24' ' ' GLU . 3.3 t -87.92 -49.55 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 166.74 -166.87 39.31 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.443 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -111.66 160.44 17.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.92 0.391 . . . . 0.0 110.889 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -101.55 -126.42 5.83 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.49 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.539 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -106.58 121.46 45.11 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.632 0.729 . . . . 0.0 111.159 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 169.99 17.66 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.679 2.252 . . . . 0.0 112.361 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.804 ' O ' HG22 ' A' ' 97' ' ' THR . 10.9 mt -109.98 -179.49 3.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -137.9 124.63 21.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -137.47 172.36 13.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 25.7 p -141.48 140.64 33.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -148.89 111.92 4.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.062 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 116' ' ' THR . 36.4 t -92.98 95.99 5.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 115' ' ' VAL . 2.5 p -38.24 152.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 71.6 mtt-85 -84.57 154.42 62.14 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.628 0.727 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.404 179.971 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.749 0.309 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -130.08 38.17 3.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.2 p -111.84 -20.16 12.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.482 ' CA ' HG11 ' A' ' 104' ' ' VAL . 2.9 ptm85 -125.39 161.12 27.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 32.8 m -81.19 146.98 59.61 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.646 0.736 . . . . 0.0 111.149 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 102.9 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.674 2.249 . . . . 0.0 112.33 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 30' ' ' VAL . 2.9 pt-20 -56.39 167.55 0.67 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.622 HG23 ' HD2' ' A' ' 31' ' ' PRO . 3.9 p -34.12 137.61 0.32 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.619 0.723 . . . . 0.0 111.137 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.622 ' HD2' HG23 ' A' ' 30' ' ' VAL . 53.3 Cg_endo -69.77 170.31 16.9 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.679 2.253 . . . . 0.0 112.346 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.1 t -46.63 -47.22 20.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -174.46 174.74 2.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.888 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.528 HD22 ' HB3' ' A' ' 98' ' ' LEU . 5.7 tp -148.78 112.17 4.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -103.27 147.84 26.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 23.7 m -134.7 145.26 32.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.088 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.401 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 26.5 ttm180 -129.94 109.8 16.96 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.563 0.697 . . . . 0.0 110.864 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 37' ' ' ARG . 53.7 Cg_endo -69.77 127.36 14.48 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.701 2.267 . . . . 0.0 112.295 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.506 HD13 HG23 ' A' ' 44' ' ' VAL . 4.5 mp -118.19 154.41 32.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.679 HG12 HG23 ' A' ' 41' ' ' THR . 78.1 t -30.67 -74.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.127 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.679 HG23 HG12 ' A' ' 40' ' ' VAL . 65.8 p -116.59 26.52 9.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.438 ' C ' HG13 ' A' ' 43' ' ' ILE . 2.2 p -151.61 -177.83 6.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.438 HG13 ' C ' ' A' ' 42' ' ' SER . 61.8 mt -157.19 118.98 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.114 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.506 HG23 HD13 ' A' ' 39' ' ' LEU . 87.6 t -89.17 105.33 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 67.9 t -97.97 103.26 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.6 t -107.38 126.99 53.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.65 ' CZ3' HD11 ' A' ' 62' ' ' ILE . 45.1 p90 -126.14 168.47 13.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 68.4 p -129.85 152.43 79.87 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.604 0.716 . . . . 0.0 111.109 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 156.53 63.05 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.663 2.242 . . . . 0.0 112.359 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 51' ' ' GLU . 53.7 Cg_endo -69.81 125.07 11.7 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.698 2.266 . . . . 0.0 112.328 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 50' ' ' PRO . 4.9 pt-20 -37.37 -38.51 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -78.11 86.11 4.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 54' ' ' ASN . 44.7 mm-40 -64.54 -36.43 84.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 53' ' ' GLN . 24.1 m120 -38.16 -39.32 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 68.8 mt -68.59 126.61 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.098 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.0 t -69.98 108.92 2.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.12 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.7 t -106.29 105.89 19.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -79.06 -37.8 38.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -178.01 -172.86 42.9 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.469 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -133.63 174.09 10.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.895 0.378 . . . . 0.0 110.893 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.41 ' HB3' ' CG ' ' A' ' 99' ' ' LYS . . . -131.93 116.63 17.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.082 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.65 HD11 ' CZ3' ' A' ' 47' ' ' TRP . 47.3 mt -95.49 139.01 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.08 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -130.74 134.06 7.59 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.45 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.429 ' C ' ' HA ' ' A' ' 69' ' ' PRO . 21.9 p90 -142.09 171.57 13.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.915 0.388 . . . . 0.0 110.916 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 144.51 128.54 2.11 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.463 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.471 HG13 ' CE1' ' A' ' 94' ' ' TYR . 40.3 mt -48.57 105.64 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.885 0.374 . . . . 0.0 111.108 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.58 -52.65 0.76 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.505 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.9 m -143.65 143.6 24.19 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.654 0.74 . . . . 0.0 110.902 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.45 ' HG3' HG21 ' A' ' 97' ' ' THR . 53.9 Cg_endo -69.74 -40.06 5.8 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.703 2.269 . . . . 0.0 112.329 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.419 ' C ' ' O ' ' A' ' 69' ' ' PRO . 0.9 OUTLIER -36.86 -36.05 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.401 ' N ' ' CD2' ' A' ' 70' ' ' HIS . . . -39.57 -50.47 2.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -142.47 152.29 42.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 89.7 m -142.61 127.09 17.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 32.9 mt -117.57 119.44 61.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.158 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.1 mttt -102.64 132.64 48.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 26.8 m -137.3 150.41 26.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.177 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -53.11 161.93 0.76 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.519 ' CE2' ' HG3' ' A' ' 79' ' ' LYS . 53.9 p90 -59.11 -45.94 89.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.519 ' HG3' ' CE2' ' A' ' 78' ' ' TYR . 32.6 mtmt -40.36 -44.5 1.97 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.412 ' HA ' ' NE2' ' A' ' 80' ' ' GLN . 12.6 mm-40 -55.44 114.87 2.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -85.01 -36.95 20.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -144.67 167.61 22.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -141.37 136.02 31.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.946 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 89.7 m -103.33 108.99 20.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 44.4 mt -87.31 109.6 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -99.95 -176.44 3.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 63.09 45.61 5.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 93.6 mt -118.04 155.89 29.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.99 129.13 47.26 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.578 0.704 . . . . 0.0 110.883 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 150.33 67.97 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.703 2.269 . . . . 0.0 112.336 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.0 t 69.17 52.82 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.546 ' O ' HG13 ' A' ' 115' ' ' VAL . 5.0 m -149.78 155.33 39.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.827 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -93.8 128.86 40.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.471 ' CE1' HG13 ' A' ' 66' ' ' ILE . 49.5 m-85 -126.07 125.19 42.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 93.2 t -93.44 103.55 14.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.127 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.466 ' N ' HD12 ' A' ' 96' ' ' ILE . 4.5 mp -92.29 135.63 26.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.086 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.585 HG22 ' O ' ' A' ' 110' ' ' LEU . 72.0 p -129.22 162.95 26.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.179 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.528 ' HB3' HD22 ' A' ' 34' ' ' LEU . 8.9 tp -150.91 131.19 13.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.41 ' CG ' ' HB3' ' A' ' 61' ' ' ALA . 10.2 ptpp? -137.48 131.05 31.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.06 139.2 38.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.105 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.492 ' CD1' ' C ' ' A' ' 101' ' ' PHE . 3.2 p90 -135.89 164.17 28.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 48.0 p-10 -167.86 179.22 4.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -46.67 -35.29 5.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.482 HG11 ' CA ' ' A' ' 26' ' ' ARG . 39.2 t -69.02 -49.24 64.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.155 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 165.28 -151.47 20.29 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.515 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -117.15 153.08 33.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.893 0.378 . . . . 0.0 110.849 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -99.91 -147.54 21.51 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.468 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.528 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -98.37 127.07 37.36 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.669 0.747 . . . . 0.0 111.121 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 163.55 37.81 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.681 2.254 . . . . 0.0 112.372 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.621 HD21 ' CG2' ' A' ' 30' ' ' VAL . 12.0 mt -109.14 164.97 11.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -125.6 120.19 30.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -129.31 176.82 7.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 72.9 p -140.85 139.19 34.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -161.76 119.87 2.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.112 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.546 HG13 ' O ' ' A' ' 92' ' ' SER . 40.8 t -107.14 111.38 35.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.127 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 38.0 p -45.62 147.86 0.82 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.192 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 117' ' ' ARG . 14.0 mtp-105 -74.7 154.06 87.31 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.597 0.713 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.341 0.145 0 C-N-CA 122.707 2.271 . . . . 0.0 112.358 179.962 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.765 0.316 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -129.56 36.88 4.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.2 p -108.94 -22.08 12.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.501 ' CA ' HG11 ' A' ' 104' ' ' VAL . 15.3 ptp180 -120.48 162.89 18.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.3 m -81.52 150.7 67.39 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.592 0.711 . . . . 0.0 111.145 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.481 ' HA ' HG21 ' A' ' 55' ' ' ILE . 53.6 Cg_endo -69.76 103.35 1.15 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.668 2.245 . . . . 0.0 112.325 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -54.2 164.29 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.668 HG23 ' HD2' ' A' ' 31' ' ' PRO . 5.3 p -38.34 138.78 0.7 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.662 0.744 . . . . 0.0 111.098 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.668 ' HD2' HG23 ' A' ' 30' ' ' VAL . 53.4 Cg_endo -69.79 165.7 30.12 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.662 2.241 . . . . 0.0 112.346 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.5 t -45.66 -50.35 13.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 82.0 p -172.79 -175.48 1.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.8 tp -155.18 116.54 4.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -100.63 150.25 22.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.6 m -135.58 139.96 45.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.558 ' HG3' HD12 ' A' ' 39' ' ' LEU . 10.4 tpp180 -126.28 107.57 24.23 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.605 0.717 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 127.56 14.74 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.711 2.274 . . . . 0.0 112.337 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.667 ' CD1' HG23 ' A' ' 44' ' ' VAL . 4.1 mp -123.35 154.87 38.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.526 HG12 HG23 ' A' ' 41' ' ' THR . 96.5 t -29.63 -75.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.141 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.526 HG23 HG12 ' A' ' 40' ' ' VAL . 12.7 p -116.77 26.68 9.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.14 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.509 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 5.3 p -151.75 -178.14 6.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.509 ' CG1' ' O ' ' A' ' 42' ' ' SER . 38.9 mt -160.72 108.97 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.078 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.667 HG23 ' CD1' ' A' ' 39' ' ' LEU . 3.9 t -75.2 91.75 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.1 t -82.46 100.54 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.147 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.473 ' HA ' ' CB ' ' A' ' 82' ' ' TYR . 1.3 m -104.82 134.9 47.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.55 ' CB ' HD22 ' A' ' 98' ' ' LEU . 48.8 p90 -129.53 -175.31 3.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.0 p -142.15 155.12 65.2 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.574 0.702 . . . . 0.0 111.118 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 161.39 46.1 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.7 2.267 . . . . 0.0 112.362 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 51' ' ' GLU . 54.2 Cg_endo -69.74 126.99 13.98 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.688 2.259 . . . . 0.0 112.37 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 50' ' ' PRO . 1.8 tt0 -35.5 -43.56 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -84.4 117.21 23.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 54' ' ' ASN . 14.1 mm-40 -83.58 -40.32 19.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 53' ' ' GLN . 35.1 m120 -36.83 -40.86 0.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.481 HG21 ' HA ' ' A' ' 28' ' ' PRO . 77.1 mt -66.08 131.92 31.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 94.9 t -77.62 131.71 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.147 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.483 HG11 ' CZ ' ' A' ' 60' ' ' TYR . 93.5 t -125.09 116.23 46.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.086 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.477 ' CZ ' ' OD1' ' A' ' 103' ' ' ASN . 7.2 mmt85 -82.62 -35.56 26.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 177.34 -176.25 47.97 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.483 ' CZ ' HG11 ' A' ' 57' ' ' VAL . 5.4 m-85 -132.54 141.8 48.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.874 0.369 . . . . 0.0 110.92 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -106.45 129.34 54.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.467 HD11 ' CZ3' ' A' ' 47' ' ' TRP . 20.4 mt -104.47 148.28 9.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.136 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -140.24 123.46 2.42 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.496 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.413 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 5.9 p90 -127.53 166.12 18.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.972 0.415 . . . . 0.0 110.9 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 156.4 126.98 0.98 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.565 HG13 ' CE2' ' A' ' 94' ' ' TYR . 20.4 mt -53.59 107.88 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.874 0.369 . . . . 0.0 111.109 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.67 -50.3 2.9 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.505 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 21.0 p -126.79 124.62 24.13 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.726 0.774 . . . . 0.0 110.865 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -9.49 26.23 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.673 2.249 . . . . 0.0 112.342 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 40.5 m-70 -82.91 43.13 0.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 64' ' ' TYR . . . -107.37 -45.74 4.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 21.1 mp0 -140.48 151.04 44.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.7 m -133.86 123.96 25.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 77.9 mt -121.42 107.96 21.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 55.3 mttm -98.83 118.62 35.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.926 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 34.6 m -118.28 176.53 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -68.59 173.35 5.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -76.74 -21.38 55.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.0 mttp -82.79 37.38 0.53 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -120.12 113.09 19.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.979 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -77.71 -39.38 44.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.83 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.473 ' CB ' ' HA ' ' A' ' 46' ' ' SER . 45.3 p90 -155.28 171.21 20.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -136.66 140.57 42.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.927 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 93.4 m -100.78 96.82 7.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.109 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 71.8 mt -77.53 130.9 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.157 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -126.01 -177.05 3.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.465 ' N ' ' ND2' ' A' ' 87' ' ' ASN . 0.4 OUTLIER 74.58 31.91 0.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.546 HD22 ' CE2' ' A' ' 94' ' ' TYR . 52.7 mt -110.62 176.89 4.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.65 139.04 29.27 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.59 0.71 . . . . 0.0 110.911 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 155.95 64.71 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.679 2.253 . . . . 0.0 112.37 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.7 t 67.31 50.48 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.81 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 23.2 t -152.36 153.6 33.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.833 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 7.6 t-160 -99.78 130.76 46.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.565 ' CE2' HG13 ' A' ' 66' ' ' ILE . 50.9 m-85 -123.83 147.65 47.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.96 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 96.1 t -113.66 104.22 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.158 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.447 ' N ' HD12 ' A' ' 96' ' ' ILE . 4.7 mp -93.31 139.06 18.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.624 HG22 ' O ' ' A' ' 110' ' ' LEU . 47.6 p -133.52 154.23 51.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.55 HD22 ' CB ' ' A' ' 47' ' ' TRP . 4.8 tp -143.13 136.05 27.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.946 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -142.73 135.54 28.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -84.57 132.53 34.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.087 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 45.6 p90 -133.48 133.09 41.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -131.67 -178.86 5.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.477 ' OD1' ' CZ ' ' A' ' 58' ' ' ARG . 77.5 m-20 -48.79 -40.57 29.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.501 HG11 ' CA ' ' A' ' 26' ' ' ARG . 35.9 t -60.96 -49.53 84.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 167.7 -158.15 30.84 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.492 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -106.31 157.29 17.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.36 . . . . 0.0 110.863 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -106.77 -145.23 12.31 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.451 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.55 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -104.83 125.34 34.07 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.625 0.726 . . . . 0.0 111.135 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 170.21 17.11 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.649 2.233 . . . . 0.0 112.357 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.624 ' O ' HG22 ' A' ' 97' ' ' THR . 53.9 mt -116.92 166.59 11.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.966 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -124.96 126.48 45.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.967 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -134.1 175.34 9.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 31.9 p -141.92 134.17 27.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -149.74 113.93 5.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.096 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 96.1 t -98.12 107.33 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 47.8 p -44.92 145.57 0.94 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.158 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 32.2 mtt180 -61.32 157.65 43.16 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.594 0.712 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.199 0 C-N-CA 122.676 2.251 . . . . 0.0 112.375 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.1 t0 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.741 0.305 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.667 ' O ' HG21 ' A' ' 104' ' ' VAL . 50.5 tt0 -94.14 -41.46 9.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 24' ' ' GLU . 49.4 p -37.58 -29.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.13 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 24' ' ' GLU . 4.0 ptp180 -103.3 143.12 33.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.829 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.5 m -82.37 147.03 55.53 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.566 0.698 . . . . 0.0 111.141 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 102.22 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.634 2.222 . . . . 0.0 112.336 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -52.15 -177.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.66 HG23 ' HD2' ' A' ' 31' ' ' PRO . 4.8 p -48.54 138.4 11.72 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.63 0.728 . . . . 0.0 111.085 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.66 ' HD2' HG23 ' A' ' 30' ' ' VAL . 53.9 Cg_endo -69.8 173.76 10.53 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.637 2.225 . . . . 0.0 112.367 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.6 p -57.3 -42.73 82.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.9 p -174.21 -176.12 1.1 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 tp -153.67 123.58 6.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.939 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.547 ' C ' ' CD2' ' A' ' 35' ' ' HIS . 0.4 OUTLIER -107.34 155.36 20.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 179.892 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.569 HG12 HG22 ' A' ' 45' ' ' VAL . 2.3 m -151.81 125.03 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.4 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 4.3 mmt180 -109.27 106.53 58.79 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.611 0.72 . . . . 0.0 110.828 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.648 ' HB3' ' HB1' ' A' ' 114' ' ' ALA . 53.2 Cg_endo -69.84 118.52 5.73 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.672 2.248 . . . . 0.0 112.344 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.533 HD13 HG23 ' A' ' 44' ' ' VAL . 6.5 mp -116.57 154.72 29.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.494 ' C ' ' O ' ' A' ' 39' ' ' LEU . 71.1 t -30.26 -73.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.083 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.426 HG23 HG12 ' A' ' 40' ' ' VAL . 10.5 p -116.56 25.19 10.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.126 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.481 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 0.8 OUTLIER -147.97 177.15 9.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.862 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.481 ' CG1' ' O ' ' A' ' 42' ' ' SER . 20.3 mt -160.03 105.02 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.123 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.533 HG23 HD13 ' A' ' 39' ' ' LEU . 2.1 t -73.38 94.36 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.079 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.569 HG22 HG12 ' A' ' 36' ' ' VAL . 74.9 t -87.08 99.95 9.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.437 ' HA ' ' CB ' ' A' ' 82' ' ' TYR . 8.5 t -106.51 137.43 44.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.825 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.609 ' CB ' HD22 ' A' ' 98' ' ' LEU . 49.0 p90 -133.28 -175.65 3.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -144.76 159.17 51.53 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.634 0.73 . . . . 0.0 111.134 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 157.72 59.38 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.68 2.253 . . . . 0.0 112.315 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 136.51 33.16 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.63 2.22 . . . . 0.0 112.366 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -41.83 -44.21 3.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -73.59 108.71 6.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -95.52 38.03 1.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.513 ' C ' ' ND2' ' A' ' 54' ' ' ASN . 0.1 OUTLIER -115.93 -25.25 7.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 8.0 mt -83.54 146.91 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 83.8 t -83.35 126.56 40.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.143 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 56.7 t -114.35 125.05 71.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.101 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -96.97 -21.03 17.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 162.12 -177.26 38.38 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.495 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.442 ' CD1' ' N ' ' A' ' 60' ' ' TYR . 0.6 OUTLIER -133.76 146.28 50.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.917 0.389 . . . . 0.0 110.923 -179.795 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -105.6 132.0 52.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.1 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 14.9 mt -106.67 129.38 60.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -116.51 123.3 5.79 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.5 ' CZ ' ' CB ' ' A' ' 72' ' ' GLN . 10.4 p90 -134.21 150.34 51.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.981 0.419 . . . . 0.0 110.905 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.407 ' HA3' ' HB3' ' A' ' 71' ' ' ALA . . . 166.56 153.68 7.94 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.495 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.672 HD11 ' CE1' ' A' ' 94' ' ' TYR . 17.9 mm -71.77 92.95 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.849 0.357 . . . . 0.0 111.123 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.81 -41.42 2.23 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.503 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.3 m -148.61 141.98 15.82 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.638 0.732 . . . . 0.0 110.894 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.635 ' HG3' HG21 ' A' ' 97' ' ' THR . 53.3 Cg_endo -69.78 0.55 5.5 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.636 2.224 . . . . 0.0 112.34 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.431 ' O ' ' C ' ' A' ' 71' ' ' ALA . 13.0 m170 -72.54 -36.61 68.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.868 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 70' ' ' HIS . . . -34.3 -58.43 0.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.059 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.5 ' CB ' ' CZ ' ' A' ' 64' ' ' TYR . 19.2 mt-30 -134.67 153.64 51.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 89.9 m -141.56 127.33 19.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 69.8 mt -132.14 111.22 17.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.3 pttp -111.37 127.7 55.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.6 m -111.5 -178.95 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -68.92 -173.93 0.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -84.12 -17.18 40.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.1 mmtt -88.52 38.77 0.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.912 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.427 ' O ' ' CZ2' ' A' ' 47' ' ' TRP . 45.7 mm-40 -126.76 111.03 13.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -75.12 -38.84 60.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.452 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 26.5 p90 -153.01 176.62 11.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.927 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -142.06 133.79 27.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.514 HG22 ' HG3' ' A' ' 86' ' ' GLU . 55.2 m -95.67 96.91 9.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.17 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.445 ' CG2' HD11 ' A' ' 88' ' ' LEU . 56.7 mt -79.4 97.63 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.153 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.514 ' HG3' HG22 ' A' ' 84' ' ' THR . 13.4 mt-10 -99.74 170.69 8.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 72.68 44.71 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.445 HD11 ' CG2' ' A' ' 85' ' ' ILE . 56.0 mt -112.69 162.65 15.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -85.37 116.76 66.87 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.576 0.703 . . . . 0.0 110.878 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 156.32 63.63 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.698 2.265 . . . . 0.0 112.337 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.9 t 66.88 54.75 0.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.1 p -166.07 147.79 6.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -83.25 140.59 32.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.672 ' CE1' HD11 ' A' ' 66' ' ' ILE . 12.5 m-85 -131.26 134.04 46.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 88.0 t -98.42 109.6 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.17 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.418 ' N ' HD12 ' A' ' 96' ' ' ILE . 3.5 mp -96.04 138.93 20.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.642 HG22 ' O ' ' A' ' 110' ' ' LEU . 41.3 p -135.89 134.03 38.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.609 HD22 ' CB ' ' A' ' 47' ' ' TRP . 5.5 tp -124.65 141.52 52.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -150.88 140.21 21.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.27 131.94 35.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -134.07 142.97 47.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 36.8 p-10 -128.61 -174.98 3.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -50.39 -27.33 6.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.667 HG21 ' O ' ' A' ' 24' ' ' GLU . 98.1 t -79.77 -50.04 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.096 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 164.62 -166.65 38.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.517 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -107.26 166.06 10.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.865 0.364 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -109.09 -124.88 5.02 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.491 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.493 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -110.26 121.06 42.64 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.604 0.716 . . . . 0.0 111.121 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 171.18 14.98 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.707 2.272 . . . . 0.0 112.352 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.642 ' O ' HG22 ' A' ' 97' ' ' THR . 84.9 mt -110.34 178.13 4.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -136.33 129.23 31.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -139.68 178.25 7.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 60.6 p -140.48 142.29 35.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.648 ' HB1' ' HB3' ' A' ' 38' ' ' PRO . . . -156.84 117.58 3.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 99.0 t -100.14 102.3 13.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 81.9 p -46.66 132.54 10.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.41 154.67 22.15 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.606 0.717 . . . . 0.0 110.859 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--O 1.232 0.207 0 C-N-CA 122.691 2.261 . . . . 0.0 112.34 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 . . . . . 0 C--O 1.23 0.038 0 CA-C-O 120.754 0.311 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.53 ' O ' HG21 ' A' ' 104' ' ' VAL . 1.8 tm-20 -92.94 -32.2 14.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.0 t -42.25 -23.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 24' ' ' GLU . 16.6 ptt180 -108.92 139.59 43.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.2 m -68.48 147.41 98.11 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.588 0.709 . . . . 0.0 111.152 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 98.05 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.707 2.271 . . . . 0.0 112.34 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -48.8 165.78 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.911 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.603 HG23 ' HD2' ' A' ' 31' ' ' PRO . 3.5 p -38.88 136.81 0.93 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.653 0.74 . . . . 0.0 111.127 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.603 ' HD2' HG23 ' A' ' 30' ' ' VAL . 54.4 Cg_endo -69.71 164.18 35.47 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.677 2.251 . . . . 0.0 112.402 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.4 p -45.04 -47.94 11.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 81.2 p -175.32 -177.19 1.0 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.848 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.436 HD22 ' HB3' ' A' ' 98' ' ' LEU . 3.5 tp -150.91 112.91 4.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 38.7 t-80 -98.3 146.05 26.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.409 HG12 HG22 ' A' ' 45' ' ' VAL . 3.3 m -136.95 136.22 47.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.102 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.77 110.29 40.48 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.609 0.719 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.4 ' HB2' ' O ' ' A' ' 115' ' ' VAL . 53.2 Cg_endo -69.78 121.78 8.46 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.688 2.259 . . . . 0.0 112.325 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.517 ' O ' ' C ' ' A' ' 40' ' ' VAL . 2.5 mp -114.38 154.9 27.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.669 HG12 HG23 ' A' ' 41' ' ' THR . 97.7 t -27.49 -69.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.669 HG23 HG12 ' A' ' 40' ' ' VAL . 40.5 p -119.2 0.44 11.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.486 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 4.2 p -120.28 -177.87 3.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.486 ' CG1' ' O ' ' A' ' 42' ' ' SER . 39.3 mt -159.91 105.01 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.127 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.465 HG23 HD13 ' A' ' 39' ' ' LEU . 85.0 t -71.92 113.89 9.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.419 HG13 HD11 ' A' ' 34' ' ' LEU . 96.9 t -107.3 100.84 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.147 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 t -106.72 128.54 54.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.641 ' CZ3' HD11 ' A' ' 62' ' ' ILE . 47.8 p90 -126.15 178.01 6.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 40.0 p -142.15 153.28 63.19 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.599 0.714 . . . . 0.0 111.104 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 160.21 50.56 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.689 2.26 . . . . 0.0 112.35 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 133.36 25.38 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.65 2.233 . . . . 0.0 112.314 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -38.56 -39.47 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.463 ' HB3' HD12 ' A' ' 55' ' ' ILE . 15.8 t-20 -78.54 62.43 3.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -45.52 -29.23 1.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -46.45 -36.45 6.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.463 HD12 ' HB3' ' A' ' 52' ' ' ASN . 35.7 mt -74.28 121.67 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.405 ' CG2' ' HB2' ' A' ' 24' ' ' GLU . 54.7 t -59.88 146.74 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 94.5 t -136.3 112.02 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.151 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.0 mmt85 -77.69 -42.32 34.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 179.35 -177.02 48.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.504 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -127.7 173.23 10.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.895 0.378 . . . . 0.0 110.944 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.633 ' HB2' ' HD3' ' A' ' 75' ' ' LYS . . . -132.28 112.01 11.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.083 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.641 HD11 ' CZ3' ' A' ' 47' ' ' TRP . 30.5 mt -96.55 123.44 48.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -120.86 127.61 7.07 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.474 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.633 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 2.9 p90 -121.15 160.62 23.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.883 0.373 . . . . 0.0 110.989 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 163.78 121.64 0.57 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.469 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 66.6 mt -47.77 122.47 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 0.0 111.154 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.21 -45.8 2.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.462 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.594 ' HB2' ' CD2' ' A' ' 70' ' ' HIS . 23.2 m -138.89 130.55 15.36 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.671 0.748 . . . . 0.0 110.831 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 0.29 5.89 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.692 2.261 . . . . 0.0 112.324 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.594 ' CD2' ' HB2' ' A' ' 68' ' ' SER . 0.6 OUTLIER -81.6 49.09 1.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.633 ' HB3' ' O ' ' A' ' 64' ' ' TYR . . . -115.92 -55.1 2.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.057 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -139.01 166.99 23.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.0 m -141.98 136.38 30.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.12 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.58 HD13 ' CE1' ' A' ' 83' ' ' TYR . 87.6 mt -125.9 114.87 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.088 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.633 ' HD3' ' HB2' ' A' ' 61' ' ' ALA . 32.6 mmtt -101.29 116.69 33.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 31.5 m -118.87 167.88 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -78.28 165.99 23.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.804 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.531 ' CE2' ' HG3' ' A' ' 79' ' ' LYS . 27.7 p90 -57.87 -46.15 85.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.531 ' HG3' ' CE2' ' A' ' 78' ' ' TYR . 22.8 mttm -44.34 -47.14 9.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.855 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -53.25 112.16 0.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.93 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.69 -39.33 27.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.864 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.454 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 53.3 p90 -143.11 175.35 9.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.58 ' CE1' HD13 ' A' ' 74' ' ' ILE . 27.4 t80 -139.32 131.52 28.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 91.5 m -98.38 93.15 6.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.141 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 53.3 mt -71.8 114.91 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -112.72 172.45 6.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 69.98 48.53 0.54 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 16.6 mt -117.96 170.55 8.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -95.56 119.95 64.37 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.592 0.711 . . . . 0.0 110.854 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 152.9 69.65 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.657 2.238 . . . . 0.0 112.351 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.1 t 69.64 47.27 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.7 t -157.26 146.35 19.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.432 ' CD2' ' N ' ' A' ' 94' ' ' TYR . 4.6 t-160 -79.59 136.12 36.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.828 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.432 ' N ' ' CD2' ' A' ' 93' ' ' HIS . 19.9 m-85 -130.01 118.1 21.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 44.7 t -87.73 115.23 27.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.161 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.563 ' N ' HD12 ' A' ' 96' ' ' ILE . 3.2 mp -103.59 140.26 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.701 HG22 ' O ' ' A' ' 110' ' ' LEU . 22.1 p -127.59 155.81 43.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.517 HD22 ' CB ' ' A' ' 47' ' ' TRP . 5.6 tp -145.08 129.93 18.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.922 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.1 ptpp? -134.03 130.5 37.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -84.75 121.41 27.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.474 ' CB ' ' HA ' ' A' ' 106' ' ' GLU . 7.1 p90 -123.56 164.73 18.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 39.1 p-10 -152.09 -176.9 5.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -54.08 -32.36 54.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.53 HG21 ' O ' ' A' ' 24' ' ' GLU . 83.9 t -72.53 -49.56 40.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 174.78 -177.43 46.87 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.506 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.474 ' HA ' ' CB ' ' A' ' 101' ' ' PHE . 9.6 mp0 -86.58 166.34 15.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.883 0.373 . . . . 0.0 110.86 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -114.13 -158.08 12.37 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 3.7 mm -89.15 124.31 65.16 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.599 0.714 . . . . 0.0 111.13 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.411 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 53.3 Cg_endo -69.83 167.64 23.94 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.71 2.273 . . . . 0.0 112.308 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.701 ' O ' HG22 ' A' ' 97' ' ' THR . 26.5 mt -118.89 156.46 29.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -115.53 125.09 52.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -137.29 175.32 9.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 72.8 m -142.07 142.25 32.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.815 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -153.01 112.16 3.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.093 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.4 ' O ' ' HB2' ' A' ' 38' ' ' PRO . 65.1 t -97.24 114.37 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.18 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 17.7 p -57.36 143.81 38.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 29.9 mtp180 -71.16 156.94 91.21 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.607 0.717 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.176 0 C-N-CA 122.694 2.263 . . . . 0.0 112.351 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.754 0.312 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -121.56 27.92 7.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.9 t -99.99 -22.74 15.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.173 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 37.7 ptt180 -121.64 157.11 31.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.7 m -83.55 146.69 50.72 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.657 0.741 . . . . 0.0 111.117 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.439 ' HA ' HG21 ' A' ' 55' ' ' ILE . 53.2 Cg_endo -69.83 104.04 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.307 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -49.91 -178.8 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.649 HG23 ' HD2' ' A' ' 31' ' ' PRO . 4.4 p -47.25 138.64 7.99 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.678 0.752 . . . . 0.0 111.102 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.649 ' HD2' HG23 ' A' ' 30' ' ' VAL . 53.7 Cg_endo -69.79 167.95 23.01 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.619 2.212 . . . . 0.0 112.315 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.6 m -48.01 -53.29 16.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.852 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 t -170.2 -177.82 2.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.461 HD22 ' HB3' ' A' ' 98' ' ' LEU . 5.0 tp -153.82 114.79 4.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -106.28 140.08 39.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.829 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.577 HG12 HG13 ' A' ' 45' ' ' VAL . 29.5 m -132.51 134.13 59.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.457 ' O ' HD12 ' A' ' 39' ' ' LEU . 16.8 ttm-85 -116.99 108.71 43.79 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.622 0.725 . . . . 0.0 110.84 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.543 ' HB3' ' HB1' ' A' ' 114' ' ' ALA . 54.0 Cg_endo -69.76 126.45 13.32 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.643 2.229 . . . . 0.0 112.391 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.518 HD13 HG23 ' A' ' 44' ' ' VAL . 3.3 mp -119.98 154.4 34.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.929 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.612 HG12 HG23 ' A' ' 41' ' ' THR . 59.5 t -31.49 -74.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.612 HG23 HG12 ' A' ' 40' ' ' VAL . 47.7 p -115.02 25.77 10.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.424 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 9.5 p -150.0 179.55 7.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.816 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.424 ' CG1' ' O ' ' A' ' 42' ' ' SER . 54.9 mt -158.24 108.68 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.127 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.518 HG23 HD13 ' A' ' 39' ' ' LEU . 89.9 t -81.72 95.32 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.577 HG13 HG12 ' A' ' 36' ' ' VAL . 83.1 t -88.91 100.13 10.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.1 t -104.88 127.84 52.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.824 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.663 ' CB ' HD22 ' A' ' 98' ' ' LEU . 49.3 p90 -123.14 -175.02 3.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.1 p -142.8 157.69 61.04 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.547 0.689 . . . . 0.0 111.154 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 160.1 50.95 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.68 2.253 . . . . 0.0 112.345 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 51' ' ' GLU . 54.1 Cg_endo -69.73 123.99 10.65 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.725 2.284 . . . . 0.0 112.323 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 50' ' ' PRO . 5.9 mt-10 -34.22 -39.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.68 ' ND2' HD21 ' A' ' 54' ' ' ASN . 6.4 t-20 -88.42 126.9 35.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.501 ' O ' ' N ' ' A' ' 55' ' ' ILE . 1.3 mp0 -97.12 -35.97 10.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.68 HD21 ' ND2' ' A' ' 52' ' ' ASN . 0.1 OUTLIER -37.6 -27.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.962 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.501 ' N ' ' O ' ' A' ' 53' ' ' GLN . 92.4 mt -80.11 136.99 22.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.114 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.476 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 76.7 t -81.2 112.7 19.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.155 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.479 HG11 ' CZ ' ' A' ' 60' ' ' TYR . 98.5 t -104.18 129.47 56.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -100.73 -45.45 5.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -171.36 171.54 44.04 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.516 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.479 ' CZ ' HG11 ' A' ' 57' ' ' VAL . 12.8 m-85 -122.73 164.37 18.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.92 0.39 . . . . 0.0 110.927 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -120.68 142.45 49.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.07 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 14.3 mt -121.81 105.03 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -105.44 125.36 8.24 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -126.16 164.44 20.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.945 0.402 . . . . 0.0 110.892 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 152.26 131.86 1.75 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.873 HD11 ' CZ ' ' A' ' 94' ' ' TYR . 5.1 mp -62.49 136.1 26.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.869 0.366 . . . . 0.0 111.156 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 81.04 -44.43 3.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.469 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.7 m -158.14 139.24 9.53 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.69 0.757 . . . . 0.0 110.862 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 0.18 5.99 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.651 2.234 . . . . 0.0 112.383 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -82.3 42.92 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -118.77 -67.61 0.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.425 ' NE2' ' HA ' ' A' ' 72' ' ' GLN . 5.4 mm-40 -131.47 146.24 52.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.5 t -142.61 153.05 43.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 31.2 mt -139.03 117.9 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.169 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 52.5 mttm -99.27 120.31 39.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 28.2 m -125.37 166.04 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -57.66 167.57 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -70.79 -44.83 65.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.4 mttp -40.7 -43.31 1.93 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.893 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -52.32 116.08 2.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.9 tmm_? -82.59 -39.22 22.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.408 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 25.5 p90 -143.46 167.78 21.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -138.67 126.38 22.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 89.6 m -101.65 105.49 16.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.161 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.5 ' HB ' HD11 ' A' ' 88' ' ' LEU . 41.1 mt -81.02 134.82 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.454 ' O ' ' CG ' ' A' ' 87' ' ' ASN . 43.6 mt-10 -117.4 -174.8 2.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.454 ' CG ' ' O ' ' A' ' 86' ' ' GLU . 0.5 OUTLIER 48.52 49.01 18.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.5 HD11 ' HB ' ' A' ' 85' ' ' ILE . 53.1 mt -109.51 179.41 4.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -111.12 122.67 37.22 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.522 0.677 . . . . 0.0 110.884 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -179.53 2.96 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.673 2.249 . . . . 0.0 112.369 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.2 p 42.46 40.56 1.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.8 m -144.33 133.52 22.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.863 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -80.1 123.19 27.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.873 ' CZ ' HD11 ' A' ' 66' ' ' ILE . 22.6 m-85 -114.41 129.54 56.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 59.4 t -98.12 107.66 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.11 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.649 ' N ' HD12 ' A' ' 96' ' ' ILE . 2.9 mp -93.82 140.87 15.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.72 HG22 ' O ' ' A' ' 110' ' ' LEU . 21.2 p -134.51 127.63 31.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.138 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.663 HD22 ' CB ' ' A' ' 47' ' ' TRP . 7.1 tp -118.06 140.94 49.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -146.43 137.16 24.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.35 130.16 34.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.131 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -138.76 141.91 38.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 56' ' ' VAL . 35.2 p-10 -126.54 -175.08 3.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -44.48 -28.32 0.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 10.6 t -77.86 -50.03 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.136 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 160.56 -173.12 37.07 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.5 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -96.32 161.99 13.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.898 0.38 . . . . 0.0 110.879 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -108.62 -123.93 4.92 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.454 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.5 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -107.81 121.43 44.06 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.636 0.731 . . . . 0.0 111.143 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 170.78 15.78 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.707 2.272 . . . . 0.0 112.341 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.72 ' O ' HG22 ' A' ' 97' ' ' THR . 23.4 mt -112.19 171.66 7.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -128.0 118.92 24.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -127.22 -179.22 4.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.851 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 52.7 p -142.0 150.0 40.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.817 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.543 ' HB1' ' HB3' ' A' ' 38' ' ' PRO . . . -161.4 111.01 1.61 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.115 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 92.9 t -100.46 107.58 21.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.117 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 37.3 p -64.02 128.76 37.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -61.54 154.96 62.24 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.624 0.726 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.208 0 C-N-CA 122.657 2.238 . . . . 0.0 112.39 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.441 ' O ' HG23 ' A' ' 56' ' ' VAL . 11.7 t0 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.728 0.299 . . . . 0.0 110.821 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -123.45 34.2 5.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.1 t -108.44 -11.63 15.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.3 ptt180 -138.56 155.6 48.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.827 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.441 HG12 ' N ' ' A' ' 105' ' ' GLY . 13.6 m -79.38 144.51 62.04 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.654 0.74 . . . . 0.0 111.16 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.448 ' HD3' ' CG ' ' A' ' 102' ' ' ASN . 53.9 Cg_endo -69.72 100.69 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.717 2.278 . . . . 0.0 112.338 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -50.73 174.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.713 ' CG2' HD21 ' A' ' 110' ' ' LEU . 3.6 p -40.99 137.44 1.48 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.643 0.735 . . . . 0.0 111.099 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.606 ' HD2' HG23 ' A' ' 30' ' ' VAL . 53.7 Cg_endo -69.81 172.4 12.75 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.626 2.217 . . . . 0.0 112.335 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.9 t -49.35 -47.84 47.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 74.9 p -174.59 -176.04 1.01 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.875 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.606 HD23 ' OE1' ' A' ' 112' ' ' GLU . 4.5 tp -154.56 114.29 3.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.444 ' CE1' ' HG3' ' A' ' 37' ' ' ARG . 8.1 t-80 -106.04 147.58 28.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.463 HG12 HG13 ' A' ' 45' ' ' VAL . 26.2 m -137.01 139.13 44.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.578 ' O ' HD12 ' A' ' 39' ' ' LEU . 23.5 mtt-85 -116.4 107.85 46.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.611 0.72 . . . . 0.0 110.859 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.526 ' HB3' ' HB1' ' A' ' 114' ' ' ALA . 53.6 Cg_endo -69.73 123.43 10.1 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.739 2.293 . . . . 0.0 112.313 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.578 HD12 ' O ' ' A' ' 37' ' ' ARG . 6.1 mp -118.88 154.54 32.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.751 HG12 HG23 ' A' ' 41' ' ' THR . 99.9 t -29.81 -73.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.751 HG23 HG12 ' A' ' 40' ' ' VAL . 76.1 p -117.28 25.34 10.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.166 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.451 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 2.9 t -148.5 179.64 7.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.814 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.454 HG13 ' CD1' ' A' ' 88' ' ' LEU . 53.7 mt -158.82 107.01 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.103 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 75.8 t -78.0 92.52 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.463 HG13 HG12 ' A' ' 36' ' ' VAL . 62.5 t -82.91 104.06 11.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.13 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 73.8 p -108.12 124.36 50.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.554 ' CZ3' HD11 ' A' ' 62' ' ' ILE . 48.6 p90 -121.2 175.17 6.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.0 p -133.13 156.89 79.5 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.565 0.697 . . . . 0.0 111.122 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 160.28 50.28 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.663 2.242 . . . . 0.0 112.35 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 51' ' ' GLU . 54.0 Cg_endo -69.71 124.56 11.23 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.67 2.247 . . . . 0.0 112.382 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 50' ' ' PRO . 9.2 mt-10 -36.14 -37.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 31.8 t-20 -89.48 94.36 9.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.923 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 54' ' ' ASN . 18.4 mm100 -69.07 -40.4 78.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 53' ' ' GLN . 31.2 m120 -36.37 -40.16 0.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 73.8 mt -69.5 139.05 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.133 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 23' ' ' ASP . 73.4 t -74.24 136.46 25.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 65.4 t -134.83 115.48 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.114 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -83.59 -46.72 12.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.811 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -171.38 -168.07 32.49 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.438 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.413 ' CB ' HD11 ' A' ' 98' ' ' LEU . 4.6 m-85 -138.62 144.63 39.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.877 0.37 . . . . 0.0 110.96 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -102.88 117.67 35.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.112 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.554 HD11 ' CZ3' ' A' ' 47' ' ' TRP . 54.0 mt -94.48 126.94 46.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -118.16 119.56 4.43 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.519 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.462 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 40.4 p90 -128.88 150.81 50.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.964 0.411 . . . . 0.0 110.903 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 163.65 134.97 1.73 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.478 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.545 HG13 ' CE2' ' A' ' 94' ' ' TYR . 55.5 mt -57.48 120.14 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.867 0.365 . . . . 0.0 111.137 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.01 -53.44 3.95 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.493 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 44.3 m -140.19 139.19 20.45 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.654 0.74 . . . . 0.0 110.847 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.66 0.69 5.21 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.679 2.253 . . . . 0.0 112.392 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -83.57 42.45 0.84 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 64' ' ' TYR . . . -108.59 -52.15 2.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.089 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -149.88 148.13 28.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 66.0 m -130.96 132.98 45.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.177 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.463 HD13 ' CZ ' ' A' ' 83' ' ' TYR . 78.5 mt -120.16 110.07 27.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -90.34 125.97 35.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 18.6 m -136.72 154.99 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -60.78 164.31 4.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.446 ' O ' ' C ' ' A' ' 79' ' ' LYS . 35.1 p90 -58.71 -49.9 75.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.957 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 78' ' ' TYR . 34.9 mmtm -34.1 -49.14 0.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 53.4 mm-40 -49.42 116.99 1.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.14 -37.1 17.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.444 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 25.1 p90 -146.93 169.57 18.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.463 ' CZ ' HD13 ' A' ' 74' ' ' ILE . 31.4 t80 -140.95 129.89 23.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.908 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 85.9 m -94.0 98.98 11.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.119 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 49.3 mt -77.61 100.32 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.127 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -95.62 175.96 6.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.936 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 67.75 48.38 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.454 ' CD1' HG13 ' A' ' 43' ' ' ILE . 19.6 mt -117.81 165.85 13.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -91.11 124.13 62.54 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.639 0.733 . . . . 0.0 110.864 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 144.29 53.69 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.69 2.26 . . . . 0.0 112.335 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t 69.51 44.12 0.94 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.7 m -142.01 142.12 32.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.824 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -79.72 132.81 36.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.84 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.545 ' CE2' HG13 ' A' ' 66' ' ' ILE . 34.4 m-85 -130.49 131.9 45.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 95.4 t -98.86 105.0 16.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.092 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 5.1 mp -91.54 139.2 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.604 HG22 ' O ' ' A' ' 110' ' ' LEU . 53.8 p -131.42 158.34 41.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.564 ' HB3' HD22 ' A' ' 34' ' ' LEU . 5.0 tp -150.79 132.63 15.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -135.99 131.51 35.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -84.76 124.51 31.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 43.2 p90 -134.09 146.67 50.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.448 ' CG ' ' HD3' ' A' ' 28' ' ' PRO . 52.5 p-10 -134.69 -174.74 3.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -48.46 -24.41 1.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 23.2 t -80.11 -50.11 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.441 ' N ' HG12 ' A' ' 27' ' ' VAL . . . 167.35 -169.13 40.89 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.477 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -108.06 145.07 34.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.891 0.377 . . . . 0.0 110.884 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -91.12 -134.76 6.18 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.498 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.55 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -105.67 128.27 26.83 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.645 0.736 . . . . 0.0 111.098 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.412 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 54.6 Cg_endo -69.72 173.25 11.2 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.68 2.254 . . . . 0.0 112.349 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.713 HD21 ' CG2' ' A' ' 30' ' ' VAL . 73.0 mt -117.63 159.66 22.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.451 ' C ' ' OE1' ' A' ' 112' ' ' GLU . 6.2 m-85 -117.07 121.94 42.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.606 ' OE1' HD23 ' A' ' 34' ' ' LEU . 0.5 OUTLIER -125.67 172.2 9.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 54.9 p -142.07 134.91 28.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.885 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.526 ' HB1' ' HB3' ' A' ' 38' ' ' PRO . . . -161.38 121.58 2.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.083 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 95.4 t -103.58 105.45 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 27.6 p -45.42 136.66 5.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.179 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -67.02 154.22 92.95 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.602 0.715 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.177 0 C-N-CA 122.725 2.283 . . . . 0.0 112.301 -179.951 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.766 0.317 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -125.03 37.44 4.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.2 t -117.59 -10.66 10.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.145 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -127.5 151.97 48.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.1 m -86.79 146.41 41.04 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.633 0.73 . . . . 0.0 111.132 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 107.36 1.83 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.692 2.261 . . . . 0.0 112.372 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 30' ' ' VAL . 1.8 pp20? -62.7 168.07 4.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.836 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.824 ' CG2' HD21 ' A' ' 110' ' ' LEU . 2.9 p -34.86 136.15 0.4 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.583 0.706 . . . . 0.0 111.133 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.713 ' HG2' HD11 ' A' ' 110' ' ' LEU . 54.0 Cg_endo -69.7 -179.2 2.72 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.681 2.254 . . . . 0.0 112.384 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.7 p -61.56 -43.63 98.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.843 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.7 m -174.98 -178.42 1.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.41 ' CD2' ' HB2' ' A' ' 112' ' ' GLU . 2.7 tp -147.44 116.23 6.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.932 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -105.75 137.01 44.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.494 ' CG2' ' HG3' ' A' ' 112' ' ' GLU . 3.6 m -134.95 129.82 51.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -111.04 110.52 56.65 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.586 0.708 . . . . 0.0 110.827 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 122.31 8.98 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.646 2.231 . . . . 0.0 112.347 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.458 ' O ' ' C ' ' A' ' 40' ' ' VAL . 3.3 mp -115.88 154.16 30.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.568 HG12 HG23 ' A' ' 41' ' ' THR . 66.1 t -33.03 -75.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.114 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.568 HG23 HG12 ' A' ' 40' ' ' VAL . 34.8 p -113.08 25.04 11.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.133 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.5 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 12.9 p -150.9 -178.39 6.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.5 ' CG1' ' O ' ' A' ' 42' ' ' SER . 21.9 mt -160.58 106.8 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.145 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.456 HG23 HD13 ' A' ' 39' ' ' LEU . 97.0 t -76.27 100.4 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.416 HG13 HG12 ' A' ' 36' ' ' VAL . 45.0 t -92.18 100.37 11.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.138 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -106.17 124.31 49.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.597 ' CB ' HD22 ' A' ' 98' ' ' LEU . 47.8 p90 -120.77 -178.54 3.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.884 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -143.77 153.7 58.14 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.545 0.688 . . . . 0.0 111.153 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 158.18 57.75 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.669 2.246 . . . . 0.0 112.324 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 144.11 53.07 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.708 2.272 . . . . 0.0 112.324 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -41.52 -40.7 1.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -75.26 100.02 4.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -88.32 25.33 1.67 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -110.16 -22.08 11.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 73.1 mt -76.55 125.94 36.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.9 t -66.19 112.65 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 45.9 t -112.43 117.98 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.11 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -83.5 -24.44 31.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 165.26 -171.11 40.49 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.512 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -132.12 157.93 42.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.904 0.383 . . . . 0.0 110.887 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.4 107.43 13.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.122 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.457 HD11 ' CZ3' ' A' ' 47' ' ' TRP . 12.3 mt -89.36 155.84 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.443 ' N ' HG22 ' A' ' 62' ' ' ILE . . . -145.94 139.85 8.48 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.521 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.443 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 55.1 p90 -139.48 154.89 47.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.968 0.414 . . . . 0.0 110.906 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 164.98 160.26 12.2 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.586 HD11 ' CZ ' ' A' ' 94' ' ' TYR . 43.6 mm -81.41 102.48 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.819 0.342 . . . . 0.0 111.136 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.55 -41.13 2.21 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.511 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.2 t -148.12 137.99 12.52 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.653 0.74 . . . . 0.0 110.862 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.584 ' HG3' HG21 ' A' ' 97' ' ' THR . 53.6 Cg_endo -69.79 -15.4 36.95 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.728 2.285 . . . . 0.0 112.33 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.406 ' CD2' ' N ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -55.75 -19.93 12.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.911 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 64' ' ' TYR . . . -48.07 -64.7 0.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.099 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -132.92 153.46 51.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 63.8 m -139.79 129.82 24.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 77.8 mt -121.37 124.5 72.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.162 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.4 mttp -112.15 129.35 56.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 24.5 m -132.91 172.89 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.091 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -65.22 175.94 1.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.522 ' CE1' ' HG3' ' A' ' 79' ' ' LYS . 39.5 p90 -77.32 -39.85 46.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.522 ' HG3' ' CE1' ' A' ' 78' ' ' TYR . 52.2 mttt -44.45 -37.12 3.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.945 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -68.12 125.02 25.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.918 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.91 -11.7 16.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.455 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 4.1 p90 -155.87 158.86 38.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.943 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -138.87 128.79 25.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.942 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 80.1 m -94.29 100.89 12.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.158 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 44.3 mt -79.31 130.92 35.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -124.28 171.95 9.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 69.81 51.68 0.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 13.4 mt -120.36 175.43 5.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.938 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -100.85 122.65 48.27 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.657 0.741 . . . . 0.0 110.849 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 155.24 66.39 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.646 2.231 . . . . 0.0 112.344 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 27.1 t 60.5 51.76 5.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.814 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.4 m -153.78 144.64 22.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.431 ' CD2' ' N ' ' A' ' 94' ' ' TYR . 4.3 t-160 -81.4 131.06 35.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.586 ' CZ ' HD11 ' A' ' 66' ' ' ILE . 26.3 m-85 -126.25 130.93 51.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 83.7 t -94.16 111.37 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.136 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.445 HG21 HG11 ' A' ' 36' ' ' VAL . 3.0 mp -99.33 142.47 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.173 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.584 HG21 ' HG3' ' A' ' 69' ' ' PRO . 72.9 p -138.25 152.87 48.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.597 HD22 ' CB ' ' A' ' 47' ' ' TRP . 5.5 tp -143.18 137.22 28.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -140.53 140.07 35.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -85.51 136.58 33.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.066 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.487 ' CD1' ' C ' ' A' ' 101' ' ' PHE . 4.3 p90 -134.16 167.34 20.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 29.2 p-10 -170.73 177.47 3.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -49.94 -26.89 4.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 61.6 t -75.86 -43.83 39.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.081 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 160.92 -155.58 26.78 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.472 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -114.09 159.01 20.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.906 0.384 . . . . 0.0 110.874 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -106.77 -146.01 12.97 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.495 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -103.39 123.98 39.72 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.641 0.734 . . . . 0.0 111.102 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 163.7 37.31 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.671 2.248 . . . . 0.0 112.328 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.824 HD21 ' CG2' ' A' ' 30' ' ' VAL . 27.0 mt -111.64 163.65 13.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -118.58 108.15 14.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.494 ' HG3' ' CG2' ' A' ' 36' ' ' VAL . 4.9 tp10 -114.97 175.36 5.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 79.2 p -138.97 148.74 43.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.848 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -164.61 111.16 1.02 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.055 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 42.3 t -93.63 106.6 18.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 26.0 p -53.09 136.56 35.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.197 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 74.4 mtt-85 -66.57 148.97 98.49 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.591 0.71 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.189 0 C-N-CA 122.733 2.289 . . . . 0.0 112.345 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 t70 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.777 0.322 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.403 ' O ' ' CG2' ' A' ' 104' ' ' VAL . 9.1 tt0 -121.86 30.84 6.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.2 t -107.03 -18.99 13.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.178 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.0 ptt180 -125.98 147.69 49.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.505 HG12 ' N ' ' A' ' 105' ' ' GLY . 11.3 m -76.61 142.75 70.85 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.663 0.744 . . . . 0.0 111.104 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 102.91 1.07 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.673 2.249 . . . . 0.0 112.343 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 30' ' ' VAL . 2.4 pt-20 -58.95 176.12 0.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.852 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.508 HG23 ' HD2' ' A' ' 31' ' ' PRO . 2.6 p -34.98 134.47 0.43 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.66 0.743 . . . . 0.0 111.106 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.593 ' HG2' HD11 ' A' ' 110' ' ' LEU . 54.2 Cg_endo -69.74 179.32 3.77 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.702 2.268 . . . . 0.0 112.379 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.3 m -52.82 -48.34 67.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.832 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 74.6 p -174.46 -175.06 0.91 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.58 ' HB3' HD13 ' A' ' 110' ' ' LEU . 3.1 tp -150.87 124.92 9.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.935 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -112.95 139.29 48.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.7 m -135.47 141.4 42.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.163 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.1 ttm180 -122.13 109.95 33.14 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.578 0.704 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.619 ' HB3' ' HB1' ' A' ' 114' ' ' ALA . 53.6 Cg_endo -69.78 114.81 3.83 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.67 2.246 . . . . 0.0 112.365 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.485 ' O ' ' C ' ' A' ' 40' ' ' VAL . 6.1 mp -109.02 154.52 22.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.768 HG12 HG23 ' A' ' 41' ' ' THR . 85.8 t -30.57 -75.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.768 HG23 HG12 ' A' ' 40' ' ' VAL . 73.9 p -114.6 25.53 10.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.487 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 0.5 OUTLIER -151.75 -178.04 6.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.851 -179.863 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.487 ' CG1' ' O ' ' A' ' 42' ' ' SER . 36.9 mt -160.02 110.02 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.148 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.402 HG23 HD13 ' A' ' 39' ' ' LEU . 98.2 t -75.71 97.58 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.8 t -87.69 100.17 9.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.151 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.3 t -107.82 125.69 51.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.623 ' CB ' HD22 ' A' ' 98' ' ' LEU . 47.0 p90 -124.24 -177.17 3.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.8 p -144.67 149.95 45.24 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.614 0.721 . . . . 0.0 111.114 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 161.66 45.07 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.683 2.255 . . . . 0.0 112.363 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.498 ' O ' ' N ' ' A' ' 52' ' ' ASN . 53.9 Cg_endo -69.69 121.45 8.16 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.661 2.241 . . . . 0.0 112.343 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 50' ' ' PRO . 4.3 mt-10 -35.07 -32.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.498 ' N ' ' O ' ' A' ' 50' ' ' PRO . 36.0 t-20 -86.56 88.98 7.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 54' ' ' ASN . 22.4 mm-40 -64.78 -38.64 91.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 53' ' ' GLN . 1.2 m-20 -35.09 -39.42 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 13.9 mt -71.7 126.76 32.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 71.6 t -66.65 142.17 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.105 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.59 HG11 ' CZ ' ' A' ' 60' ' ' TYR . 85.9 t -141.27 119.88 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -89.44 -35.05 16.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.512 ' C ' ' CD1' ' A' ' 60' ' ' TYR . . . -179.03 -162.44 28.38 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.451 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.59 ' CZ ' HG11 ' A' ' 57' ' ' VAL . 2.5 m-85 -146.84 167.31 24.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.893 0.377 . . . . 0.0 110.907 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -121.35 132.85 55.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.091 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 26.3 mt -114.13 120.96 65.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.127 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -115.93 129.86 8.74 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.41 ' CE1' HD11 ' A' ' 74' ' ' ILE . 24.6 p90 -132.08 150.53 52.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.936 0.398 . . . . 0.0 110.891 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 172.3 139.4 2.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.463 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.4 HG13 ' CE1' ' A' ' 94' ' ' TYR . 60.5 mt -56.97 100.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.88 0.372 . . . . 0.0 111.13 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.24 -49.49 4.22 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.496 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 64.0 p -113.74 115.17 46.55 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.671 0.748 . . . . 0.0 110.858 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -4.95 15.01 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.692 2.261 . . . . 0.0 112.364 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 66.3 m-70 -86.7 39.17 0.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -103.45 -51.13 3.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.073 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.5 mp0 -136.78 157.93 45.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.7 m -137.02 133.95 36.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.147 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.41 HD11 ' CE1' ' A' ' 64' ' ' TYR . 33.2 mt -120.56 120.84 63.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.14 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 46.8 mttt -103.99 138.5 40.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 34.4 m -145.18 -175.01 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.136 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.436 ' CB ' ' OE1' ' A' ' 80' ' ' GLN . 7.4 t0 -95.75 168.09 10.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -60.92 -36.7 79.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.947 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 20.1 mmtp -52.08 -43.19 63.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.436 ' OE1' ' CB ' ' A' ' 77' ' ' ASP . 2.7 mp0 -57.1 121.06 9.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.12 -35.46 11.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.427 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 6.4 p90 -142.64 167.18 22.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -138.07 133.07 33.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.95 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 85.5 m -101.69 95.55 6.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 21.6 mt -76.7 111.95 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -104.65 174.33 5.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 67.01 48.93 1.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 84.7 mt -115.95 164.36 14.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.19 122.41 66.39 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.611 0.719 . . . . 0.0 110.885 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 166.24 28.27 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.667 2.245 . . . . 0.0 112.367 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.7 m 53.92 48.99 20.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.839 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 41.3 m -153.36 150.23 28.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.407 ' CD2' ' N ' ' A' ' 94' ' ' TYR . 6.1 t-160 -90.82 131.53 36.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.826 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.407 ' N ' ' CD2' ' A' ' 93' ' ' HIS . 31.4 m-85 -123.57 130.06 52.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.952 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 61.0 t -91.91 111.55 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.124 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.1 mp -98.5 137.88 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.09 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.505 HG22 ' O ' ' A' ' 110' ' ' LEU . 80.6 p -135.01 145.92 48.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.131 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.623 HD22 ' CB ' ' A' ' 47' ' ' TRP . 4.5 tp -139.27 137.01 35.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.967 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -139.34 129.74 25.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.16 120.99 24.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.106 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.555 ' CD1' ' C ' ' A' ' 101' ' ' PHE . 1.2 p90 -124.74 146.59 49.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.836 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 48.7 p-10 -141.16 -176.02 4.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -44.96 -41.66 7.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.403 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 98.2 t -69.33 -50.05 55.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.505 ' N ' HG12 ' A' ' 27' ' ' VAL . . . 162.06 -165.75 36.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.491 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.537 ' HB3' ' CB ' ' A' ' 101' ' ' PHE . 1.6 pm0 -118.54 158.51 25.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.871 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -101.11 -127.94 6.24 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.558 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.509 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -105.59 130.04 23.69 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.657 0.741 . . . . 0.0 111.126 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 175.56 7.95 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.691 2.261 . . . . 0.0 112.317 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.593 HD11 ' HG2' ' A' ' 31' ' ' PRO . 9.9 mt -109.19 174.4 5.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -136.26 118.25 15.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -129.86 170.73 13.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 17.8 p -134.54 137.73 44.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.619 ' HB1' ' HB3' ' A' ' 38' ' ' PRO . . . -150.79 123.53 8.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 96.0 t -106.86 102.52 14.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.115 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 17.7 p -48.76 139.18 10.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -66.84 154.14 92.61 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.627 0.727 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.176 0 C-N-CA 122.711 2.274 . . . . 0.0 112.329 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.77 0.319 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -132.39 35.7 3.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.2 t -106.51 -20.46 13.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.16 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.677 ' CA ' HG11 ' A' ' 104' ' ' VAL . 5.1 ptp180 -131.34 153.75 49.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.605 HG12 ' N ' ' A' ' 105' ' ' GLY . 24.2 m -71.94 147.97 91.65 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.658 0.742 . . . . 0.0 111.09 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 116.47 4.58 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.658 2.238 . . . . 0.0 112.321 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 30' ' ' VAL . 12.2 pt-20 -65.99 164.44 15.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.659 HG23 ' HD2' ' A' ' 31' ' ' PRO . 4.9 p -34.74 138.76 0.33 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.64 0.733 . . . . 0.0 111.116 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.659 ' HD2' HG23 ' A' ' 30' ' ' VAL . 53.5 Cg_endo -69.78 171.4 14.55 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.1 p -52.58 -50.16 63.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -172.28 175.73 3.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.524 HD23 ' OE1' ' A' ' 112' ' ' GLU . 4.1 tp -147.43 114.46 6.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -104.13 147.44 27.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.5 m -136.04 135.72 50.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.8 107.84 43.7 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.629 0.728 . . . . 0.0 110.857 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.663 ' HB3' ' HB1' ' A' ' 114' ' ' ALA . 53.6 Cg_endo -69.81 121.96 8.63 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.681 2.254 . . . . 0.0 112.326 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.485 ' O ' ' C ' ' A' ' 40' ' ' VAL . 2.9 mp -116.2 154.22 30.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.938 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.596 HG12 HG23 ' A' ' 41' ' ' THR . 68.0 t -30.6 -74.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.596 HG23 HG12 ' A' ' 40' ' ' VAL . 36.0 p -116.0 26.15 10.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.495 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 3.7 p -151.36 -178.03 6.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.495 ' CG1' ' O ' ' A' ' 42' ' ' SER . 21.3 mt -160.5 118.32 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.114 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 74.2 t -85.98 103.41 12.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.14 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 67.7 t -97.55 101.33 12.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.8 t -102.15 139.62 37.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.534 ' CZ3' ' HA ' ' A' ' 82' ' ' TYR . 41.9 p90 -142.88 159.29 42.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 39.7 p -126.83 151.17 73.31 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.564 0.697 . . . . 0.0 111.117 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 163.81 36.83 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.661 2.241 . . . . 0.0 112.381 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 51' ' ' GLU . 53.5 Cg_endo -69.81 130.9 20.08 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.691 2.261 . . . . 0.0 112.357 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 50' ' ' PRO . 9.8 mt-10 -37.44 -47.15 0.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -74.72 85.15 2.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 54' ' ' ASN . 10.9 mm-40 -58.94 -33.71 70.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 53' ' ' GLN . 16.6 m120 -36.48 -41.35 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 43.6 mt -67.45 119.07 12.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.135 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.2 t -67.17 107.69 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.46 HG11 ' CE2' ' A' ' 60' ' ' TYR . 61.2 t -105.09 108.35 24.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.143 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.412 ' HB3' ' NH1' ' A' ' 58' ' ' ARG . 4.4 mmm180 -71.44 -53.73 13.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.448 ' C ' ' CE2' ' A' ' 101' ' ' PHE . . . -166.31 -176.98 37.99 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.476 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.46 ' CE2' HG11 ' A' ' 57' ' ' VAL . 3.3 m-85 -129.48 163.52 25.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.884 0.373 . . . . 0.0 110.892 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.67 126.72 53.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.104 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.46 HD11 ' CH2' ' A' ' 47' ' ' TRP . 18.8 mt -108.01 122.11 61.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -115.24 119.68 4.7 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.504 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.43 ' CG ' HD13 ' A' ' 85' ' ' ILE . 17.6 p90 -126.58 148.89 49.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.892 0.377 . . . . 0.0 110.905 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 171.95 155.54 11.12 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.644 HD11 ' CZ ' ' A' ' 94' ' ' TYR . 30.4 mm -58.1 112.64 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.12 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.48 23.79 0.34 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.51 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.415 ' HB3' ' NE2' ' A' ' 70' ' ' HIS . 73.2 m -167.41 109.34 0.61 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.651 0.739 . . . . 0.0 110.837 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 68' ' ' SER . 53.8 Cg_endo -69.81 -15.02 36.72 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.68 2.253 . . . . 0.0 112.317 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.415 ' NE2' ' HB3' ' A' ' 68' ' ' SER . 21.0 p80 -80.26 42.81 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -112.64 -39.32 4.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -149.04 159.27 44.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.962 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 34.3 m -140.79 139.66 34.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.097 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.441 HD13 ' CE1' ' A' ' 83' ' ' TYR . 80.6 mt -132.08 107.96 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.165 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -93.61 111.74 23.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.432 HG13 HG22 ' A' ' 74' ' ' ILE . 28.2 m -117.7 170.73 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.158 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -79.38 162.08 25.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.824 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.508 ' CZ ' ' HE3' ' A' ' 79' ' ' LYS . 35.1 p90 -52.22 -51.2 59.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.508 ' HE3' ' CZ ' ' A' ' 78' ' ' TYR . 32.4 mttt -35.41 -55.42 0.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.916 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 44.1 mm-40 -44.85 107.29 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.63 -38.65 33.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.534 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 16.3 p90 -143.92 170.16 16.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.441 ' CE1' HD13 ' A' ' 74' ' ' ILE . 27.2 t80 -140.22 131.04 25.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.937 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 58.4 m -103.61 106.36 16.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.43 HD13 ' CG ' ' A' ' 64' ' ' TYR . 59.6 mt -79.97 123.01 36.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.433 ' C ' ' CG ' ' A' ' 87' ' ' ASN . 29.3 mt-10 -109.89 -174.93 2.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.433 ' CG ' ' C ' ' A' ' 86' ' ' GLU . 0.3 OUTLIER 47.88 48.04 18.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 22.0 mt -105.19 172.4 6.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -100.97 115.07 65.75 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.585 0.707 . . . . 0.0 110.856 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 162.35 42.44 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.692 2.261 . . . . 0.0 112.352 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.5 m 59.94 48.13 9.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.5 m -156.59 151.13 25.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.889 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.417 ' CD2' ' N ' ' A' ' 94' ' ' TYR . 4.0 t-160 -86.02 130.57 34.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.824 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.644 ' CZ ' HD11 ' A' ' 66' ' ' ILE . 16.0 m-85 -123.98 133.4 53.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 87.6 t -101.86 128.64 54.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.156 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.555 ' N ' HD12 ' A' ' 96' ' ' ILE . 4.1 mp -112.98 142.38 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.16 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.516 HG22 ' O ' ' A' ' 110' ' ' LEU . 80.7 p -140.64 135.3 31.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.499 HD22 ' CB ' ' A' ' 47' ' ' TRP . 7.3 tp -127.45 136.32 51.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -139.16 135.44 34.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -81.11 132.3 35.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.104 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.453 ' CD1' ' C ' ' A' ' 101' ' ' PHE . 6.6 p90 -133.16 151.48 51.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -157.23 -176.06 5.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -48.76 -43.88 38.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.677 HG11 ' CA ' ' A' ' 26' ' ' ARG . 62.6 t -60.9 -48.1 90.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.605 ' N ' HG12 ' A' ' 27' ' ' VAL . . . 163.02 -158.19 30.44 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -105.08 161.46 14.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.905 0.384 . . . . 0.0 110.855 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -107.74 -143.88 11.03 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.522 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.541 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -103.91 121.84 46.51 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.584 0.707 . . . . 0.0 111.139 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 160.41 49.81 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.693 2.262 . . . . 0.0 112.356 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.624 HD11 ' HG2' ' A' ' 31' ' ' PRO . 9.2 mt -109.74 165.25 11.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.452 ' O ' ' CD ' ' A' ' 112' ' ' GLU . 7.7 m-85 -121.85 123.42 41.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.524 ' OE1' HD23 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -132.5 167.42 20.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.935 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.1 m -142.26 143.57 32.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.663 ' HB1' ' HB3' ' A' ' 38' ' ' PRO . . . -155.63 120.27 4.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.096 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 61.2 t -97.86 106.55 18.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.0 p -49.67 140.36 11.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -71.79 155.02 92.67 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.602 0.715 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.184 0 C-N-CA 122.707 2.272 . . . . 0.0 112.33 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 t0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.738 0.304 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.434 ' CG ' ' OD1' ' A' ' 103' ' ' ASN . 64.8 tt0 -127.42 37.54 4.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 59.4 p -111.87 -16.09 13.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.7 ptt-85 -133.2 157.41 45.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.569 HG12 ' CA ' ' A' ' 105' ' ' GLY . 21.1 m -70.93 152.88 94.96 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.673 0.749 . . . . 0.0 111.087 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.618 ' HA ' HG21 ' A' ' 55' ' ' ILE . 54.3 Cg_endo -69.68 105.54 1.49 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.631 2.221 . . . . 0.0 112.402 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 30' ' ' VAL . 9.1 mt-10 -52.75 153.56 3.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.886 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.67 HG23 ' HD2' ' A' ' 31' ' ' PRO . 5.7 p -33.45 138.62 0.26 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.643 0.735 . . . . 0.0 111.128 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.67 ' HD2' HG23 ' A' ' 30' ' ' VAL . 53.5 Cg_endo -69.76 171.42 14.49 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.251 . . . . 0.0 112.307 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.2 m -53.24 -47.52 68.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.7 t -174.56 -175.38 0.93 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.846 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.414 HD22 ' HB3' ' A' ' 98' ' ' LEU . 2.3 tp -149.77 114.07 5.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.628 ' C ' ' CD2' ' A' ' 35' ' ' HIS . 0.2 OUTLIER -99.0 148.13 24.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.861 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.516 ' N ' ' CD2' ' A' ' 35' ' ' HIS . 5.5 m -141.33 145.43 24.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.7 ttt85 -129.01 107.94 18.09 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.591 0.71 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 123.52 10.2 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.664 2.243 . . . . 0.0 112.374 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.47 ' O ' ' C ' ' A' ' 40' ' ' VAL . 4.6 mp -116.14 154.33 30.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.581 HG12 HG23 ' A' ' 41' ' ' THR . 99.0 t -31.6 -70.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.581 HG23 HG12 ' A' ' 40' ' ' VAL . 35.8 p -118.8 22.21 12.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.493 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 0.8 OUTLIER -146.82 -177.98 5.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.814 -179.845 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.493 ' CG1' ' O ' ' A' ' 42' ' ' SER . 23.3 mt -160.16 106.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.106 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.454 HG23 HD13 ' A' ' 39' ' ' LEU . 59.7 t -79.36 97.69 2.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.112 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.7 t -86.02 103.28 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.115 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -108.55 122.47 47.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.694 ' CB ' HD22 ' A' ' 98' ' ' LEU . 43.2 p90 -122.63 -175.71 3.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.943 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.95 154.86 68.9 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.572 0.701 . . . . 0.0 111.102 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 156.72 62.61 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.658 2.239 . . . . 0.0 112.326 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.475 ' O ' ' N ' ' A' ' 52' ' ' ASN . 53.1 Cg_endo -69.87 123.28 9.91 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.675 2.25 . . . . 0.0 112.336 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 50' ' ' PRO . 21.2 mt-10 -36.75 -30.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' A' ' 50' ' ' PRO . 18.0 t-20 -88.12 101.03 13.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.4 ' CA ' HE21 ' A' ' 53' ' ' GLN . 0.0 OUTLIER -80.62 -34.05 35.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -38.97 -35.69 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.618 HG21 ' HA ' ' A' ' 28' ' ' PRO . 31.1 mt -75.98 146.23 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.164 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.7 t -92.4 141.22 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.201 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.571 HG12 ' H ' ' A' ' 59' ' ' GLY . 3.5 t -137.58 132.14 44.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -107.36 22.13 16.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.571 ' H ' HG12 ' A' ' 57' ' ' VAL . . . 126.5 179.61 15.84 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.493 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.427 ' CE1' ' HA ' ' A' ' 78' ' ' TYR . 2.8 m-85 -129.65 162.77 27.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.896 0.379 . . . . 0.0 110.9 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -115.07 110.61 19.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.11 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 34.0 mt -91.45 132.08 36.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.141 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -130.52 119.94 2.88 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.529 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.461 ' CZ ' ' HB2' ' A' ' 72' ' ' GLN . 6.0 p90 -120.69 159.27 25.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.926 0.393 . . . . 0.0 110.938 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 159.85 129.16 1.02 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.447 HD11 ' CZ ' ' A' ' 94' ' ' TYR . 17.7 mt -51.92 110.82 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 111.105 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.15 -53.84 4.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.475 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.7 m -122.57 121.11 27.67 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.661 0.743 . . . . 0.0 110.865 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -3.3 11.76 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.682 2.255 . . . . 0.0 112.335 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 -77.64 47.54 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -114.93 -54.71 2.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.067 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.461 ' HB2' ' CZ ' ' A' ' 64' ' ' TYR . 3.3 mp0 -139.67 154.11 47.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.1 m -136.05 128.37 30.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 86.3 mt -118.36 114.54 45.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.084 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.468 ' HD2' ' CE2' ' A' ' 101' ' ' PHE . 26.6 mmtm -99.01 119.34 37.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.8 m -129.28 147.97 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.1 p30 -48.14 150.92 1.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.473 ' CD1' ' N ' ' A' ' 79' ' ' LYS . 32.0 p90 -52.93 -44.36 66.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.958 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.473 ' N ' ' CD1' ' A' ' 78' ' ' TYR . 30.1 mtpt -41.03 -47.57 3.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.923 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -48.68 121.29 4.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -90.47 -36.63 14.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.519 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 55.9 p90 -145.07 167.04 23.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.951 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -140.43 144.36 36.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.973 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 78.8 m -106.53 106.89 17.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.145 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 35.2 mt -89.16 111.6 23.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -107.89 173.98 6.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 24.3 m-20 71.22 43.95 0.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 30.9 mt -112.24 174.01 6.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -98.24 120.97 58.44 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.591 0.71 . . . . 0.0 110.859 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 153.59 68.34 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.66 2.24 . . . . 0.0 112.338 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.4 t 65.71 48.48 1.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.845 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.3 m -156.81 139.5 15.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -81.46 132.56 35.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.841 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.56 ' O ' HD12 ' A' ' 96' ' ' ILE . 41.1 m-85 -125.84 122.96 37.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 59.7 t -83.45 110.44 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.111 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.56 HD12 ' O ' ' A' ' 94' ' ' TYR . 4.5 mp -98.8 141.47 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.143 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.481 HG22 ' O ' ' A' ' 110' ' ' LEU . 32.4 p -133.46 151.25 51.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.121 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.694 HD22 ' CB ' ' A' ' 47' ' ' TRP . 5.3 tp -142.98 136.95 28.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -150.37 135.48 17.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -81.71 147.84 29.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.076 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.468 ' CE2' ' HD2' ' A' ' 75' ' ' LYS . 16.2 p90 -142.76 151.67 41.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.412 ' CG ' ' HD3' ' A' ' 28' ' ' PRO . 47.6 p-10 -147.34 -176.77 5.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.434 ' OD1' ' CG ' ' A' ' 24' ' ' GLU . 8.4 p-10 -45.97 -38.5 7.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 74.0 t -71.7 -48.19 53.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.119 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.569 ' CA ' HG12 ' A' ' 27' ' ' VAL . . . 159.21 -160.94 31.69 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -112.53 160.83 17.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.902 0.382 . . . . 0.0 110.897 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -103.71 -136.14 8.85 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.441 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 1.3 mm -98.44 126.64 38.72 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.644 0.735 . . . . 0.0 111.139 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -176.29 1.43 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.707 2.271 . . . . 0.0 112.38 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.58 HD21 ' CG2' ' A' ' 30' ' ' VAL . 80.8 mt -131.22 150.26 52.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -108.86 134.41 51.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -140.52 178.26 7.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 78.6 p -141.46 137.76 32.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -149.59 119.12 6.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 99.8 t -104.43 103.66 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 16.6 p -52.13 139.98 22.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.155 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -65.85 155.3 86.94 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.588 0.709 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.202 0 C-N-CA 122.672 2.248 . . . . 0.0 112.386 179.946 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.79 0.328 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.402 ' HB2' HG21 ' A' ' 56' ' ' VAL . 25.0 tt0 -117.79 29.03 8.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.4 p -104.48 -10.09 17.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.082 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -124.65 170.49 10.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.847 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.6 m -99.52 145.98 31.01 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.622 0.725 . . . . 0.0 111.161 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 102.18 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 30' ' ' VAL . 1.7 pp20? -56.99 169.02 0.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.675 HG23 ' HD2' ' A' ' 31' ' ' PRO . 4.3 p -34.06 138.77 0.3 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.57 0.7 . . . . 0.0 111.191 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.675 ' HD2' HG23 ' A' ' 30' ' ' VAL . 53.1 Cg_endo -69.76 173.24 11.26 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.695 2.263 . . . . 0.0 112.322 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.2 m -53.65 -45.01 70.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 m -174.67 -177.92 1.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.823 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.6 tp -153.21 116.23 4.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.964 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -102.82 148.48 25.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.808 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.3 m -139.96 139.21 37.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.403 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 55.3 ttt180 -125.48 109.69 26.14 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.59 0.71 . . . . 0.0 110.872 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 37' ' ' ARG . 54.2 Cg_endo -69.65 129.23 17.36 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.69 2.26 . . . . 0.0 112.372 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.483 ' O ' ' C ' ' A' ' 40' ' ' VAL . 4.4 mp -120.43 154.21 35.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.534 HG12 HG23 ' A' ' 41' ' ' THR . 58.0 t -30.63 -69.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.534 HG23 HG12 ' A' ' 40' ' ' VAL . 30.3 p -120.9 22.6 11.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.165 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.419 ' C ' ' HB2' ' A' ' 39' ' ' LEU . 6.4 p -145.69 -179.35 6.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.829 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.512 HG13 HD12 ' A' ' 88' ' ' LEU . 46.8 mt -157.12 106.7 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.134 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.466 HG23 HD13 ' A' ' 39' ' ' LEU . 87.8 t -78.92 97.69 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.4 t -90.58 100.84 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.0 t -106.42 126.38 52.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.486 ' CB ' HD22 ' A' ' 98' ' ' LEU . 47.2 p90 -124.68 -174.99 3.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.961 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.78 158.59 56.07 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.587 0.708 . . . . 0.0 111.126 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 166.55 27.16 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.705 2.27 . . . . 0.0 112.343 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.422 ' O ' ' N ' ' A' ' 52' ' ' ASN . 54.6 Cg_endo -69.72 134.35 27.84 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.636 2.224 . . . . 0.0 112.373 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -38.33 -31.02 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.554 ' CG ' ' ND2' ' A' ' 54' ' ' ASN . 9.7 t-20 -95.81 162.27 13.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.893 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.506 ' O ' ' N ' ' A' ' 55' ' ' ILE . 17.5 mm100 -125.24 -42.67 1.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.597 HD22 ' N ' ' A' ' 54' ' ' ASN . 0.0 OUTLIER -36.75 -29.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.506 ' N ' ' O ' ' A' ' 53' ' ' GLN . 59.3 mt -77.79 137.48 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.402 HG21 ' HB2' ' A' ' 24' ' ' GLU . 81.7 t -78.21 130.13 36.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.116 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.0 t -124.4 125.83 70.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -96.84 -39.23 9.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 179.66 -160.72 26.12 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.468 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.432 ' CE2' ' HA ' ' A' ' 78' ' ' TYR . 1.2 m-85 -146.36 152.46 39.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.862 0.363 . . . . 0.0 110.934 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.491 ' HB3' ' HG2' ' A' ' 99' ' ' LYS . . . -105.23 124.94 50.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.4 HD11 ' CH2' ' A' ' 47' ' ' TRP . 22.3 mt -106.77 116.52 50.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -114.13 129.41 8.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.508 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 48.7 p90 -136.31 164.04 29.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.925 0.393 . . . . 0.0 110.955 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 150.17 161.93 10.2 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.521 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.428 HD11 ' CZ ' ' A' ' 94' ' ' TYR . 46.5 mm -73.23 114.23 12.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.829 0.347 . . . . 0.0 111.152 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.56 -55.41 3.1 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.539 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 72.8 m -137.12 144.59 46.68 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.651 0.739 . . . . 0.0 110.88 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 70' ' ' HIS . 53.5 Cg_endo -69.72 -32.07 19.46 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.674 2.25 . . . . 0.0 112.333 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.422 ' C ' ' O ' ' A' ' 69' ' ' PRO . 52.2 m-70 -36.19 -35.6 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 70' ' ' HIS . . . -36.37 -60.39 0.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.0 mp0 -135.13 151.72 50.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 87.2 m -142.87 135.55 27.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.125 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 45.3 mt -122.12 136.64 58.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.168 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.482 ' HD2' ' CZ ' ' A' ' 101' ' ' PHE . 17.7 mmtp -119.3 125.29 48.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.7 m -137.78 167.01 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.091 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -67.67 174.97 3.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.481 ' CE1' ' HD2' ' A' ' 79' ' ' LYS . 16.0 p90 -71.02 -35.93 72.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.973 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.481 ' HD2' ' CE1' ' A' ' 78' ' ' TYR . 0.2 OUTLIER -44.31 -49.84 9.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.892 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -51.69 115.66 1.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.87 -29.45 18.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 14.5 p90 -149.71 162.82 39.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -137.2 132.15 33.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 92.1 m -98.15 102.46 14.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.162 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 45.0 mt -83.05 111.99 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -111.08 176.79 4.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 68.46 46.7 1.0 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.512 HD12 HG13 ' A' ' 43' ' ' ILE . 92.4 mt -115.04 177.17 4.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -103.31 122.02 46.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.581 0.705 . . . . 0.0 110.853 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 148.56 64.89 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.7 2.267 . . . . 0.0 112.332 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.9 t 74.47 42.88 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 68.6 m -148.3 156.53 42.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -99.84 124.35 45.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.473 ' O ' HD12 ' A' ' 96' ' ' ILE . 69.5 m-85 -116.71 125.74 52.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 84.6 t -86.74 107.47 16.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.473 HD12 ' O ' ' A' ' 94' ' ' TYR . 4.8 mp -95.31 136.37 26.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.602 HG22 ' O ' ' A' ' 110' ' ' LEU . 41.5 p -128.36 160.51 31.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.163 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.486 HD22 ' CB ' ' A' ' 47' ' ' TRP . 10.1 tp -149.69 132.15 15.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.491 ' HG2' ' HB3' ' A' ' 61' ' ' ALA . 9.6 ptpp? -141.84 132.88 26.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.88 128.31 36.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.078 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.482 ' CZ ' ' HD2' ' A' ' 75' ' ' LYS . 25.7 p90 -136.32 143.8 44.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 52.5 p-10 -130.77 -175.25 3.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -43.98 -34.24 1.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 26.2 t -71.15 -46.37 66.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 158.64 -167.84 34.74 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.08 161.05 14.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.879 0.371 . . . . 0.0 110.918 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -107.38 -130.94 6.51 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.496 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -106.72 123.98 36.93 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.619 0.723 . . . . 0.0 111.146 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 167.9 23.1 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.684 2.256 . . . . 0.0 112.361 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.602 ' O ' HG22 ' A' ' 97' ' ' THR . 19.9 mt -109.64 179.81 4.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -141.37 126.57 18.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -135.69 -177.62 4.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 44.4 p -141.94 138.92 32.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -151.13 111.48 4.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.109 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 96.2 t -102.21 101.7 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 38.5 p -51.2 130.35 26.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 89.1 mtt-85 -56.14 153.39 18.6 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.64 0.733 . . . . 0.0 110.823 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.192 0 C-N-CA 122.652 2.235 . . . . 0.0 112.366 179.965 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.7 t0 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.799 0.333 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.509 ' HB2' HG21 ' A' ' 56' ' ' VAL . 16.6 tt0 -125.29 31.3 5.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 57.5 p -104.91 -15.73 15.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.147 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.676 ' HA ' HG11 ' A' ' 104' ' ' VAL . 0.0 OUTLIER -131.25 157.23 43.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.488 HG12 ' N ' ' A' ' 105' ' ' GLY . 20.1 m -70.93 148.45 94.59 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.65 0.738 . . . . 0.0 111.161 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.447 ' HG2' ' C ' ' A' ' 100' ' ' ALA . 53.3 Cg_endo -69.76 99.56 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.711 2.274 . . . . 0.0 112.355 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.547 ' OE2' HD13 ' A' ' 55' ' ' ILE . 0.4 OUTLIER -51.28 161.69 0.41 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.893 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.689 HG23 ' HD2' ' A' ' 31' ' ' PRO . 4.9 p -33.94 139.0 0.28 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.607 0.718 . . . . 0.0 111.142 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.689 ' HD2' HG23 ' A' ' 30' ' ' VAL . 53.6 Cg_endo -69.76 178.36 4.65 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.663 2.242 . . . . 0.0 112.353 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.0 t -58.43 -44.44 89.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.818 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 58.9 p -175.3 177.37 1.87 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.636 ' HB3' HD13 ' A' ' 110' ' ' LEU . 1.6 tp -141.98 128.96 20.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.637 ' C ' ' CD2' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -117.86 144.83 45.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.863 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.468 HG11 HG21 ' A' ' 96' ' ' ILE . 16.1 m -143.87 135.66 22.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.084 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -117.6 109.84 41.3 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.6 0.714 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 124.77 11.44 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.726 2.284 . . . . 0.0 112.355 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.474 ' O ' ' C ' ' A' ' 40' ' ' VAL . 4.4 mp -118.76 154.41 32.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.474 ' C ' ' O ' ' A' ' 39' ' ' LEU . 18.9 t -31.45 -71.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.6 p -117.73 24.44 11.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.43 ' C ' HG13 ' A' ' 43' ' ' ILE . 22.9 p -148.19 178.68 8.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.43 HG13 ' C ' ' A' ' 42' ' ' SER . 65.1 mt -156.96 105.03 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.418 HG23 HD13 ' A' ' 39' ' ' LEU . 95.5 t -76.89 100.01 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.103 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.3 t -89.84 109.61 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.129 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.544 ' OG ' ' CD2' ' A' ' 35' ' ' HIS . 2.7 p -113.14 117.31 31.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.585 ' CB ' HD22 ' A' ' 98' ' ' LEU . 47.1 p90 -117.81 172.87 7.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 40.3 p -133.29 153.47 80.63 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.581 0.705 . . . . 0.0 111.116 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 163.21 39.14 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 51' ' ' GLU . 54.0 Cg_endo -69.76 123.7 10.36 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.668 2.245 . . . . 0.0 112.357 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -34.54 -36.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.481 ' HB3' HD12 ' A' ' 55' ' ' ILE . 28.2 t-20 -91.0 84.41 5.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.924 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -60.63 -36.21 78.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -38.63 -32.64 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.547 HD13 ' OE2' ' A' ' 29' ' ' GLU . 21.2 mt -75.94 131.3 35.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.509 HG21 ' HB2' ' A' ' 24' ' ' GLU . 93.6 t -67.19 135.98 27.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.183 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.8 t -134.15 102.66 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.416 ' HB3' ' NH1' ' A' ' 58' ' ' ARG . 4.3 mmm180 -69.48 -35.55 75.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 176.58 -171.79 44.75 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.462 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.469 ' HB3' HD11 ' A' ' 98' ' ' LEU . 12.9 m-85 -131.27 156.7 44.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.896 0.379 . . . . 0.0 110.945 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.402 ' HB3' ' CG ' ' A' ' 99' ' ' LYS . . . -119.08 118.6 31.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.062 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.552 HD11 ' CZ3' ' A' ' 47' ' ' TRP . 68.7 mt -98.9 146.97 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.132 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -136.35 138.46 9.88 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.466 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -144.94 167.34 22.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.902 0.382 . . . . 0.0 110.918 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 155.78 162.27 11.23 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.5 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.855 HD11 ' CZ ' ' A' ' 94' ' ' TYR . 34.1 mm -79.75 98.75 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.901 0.382 . . . . 0.0 111.132 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.4 -40.51 2.4 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.442 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.4 m -147.13 141.35 15.8 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.682 0.754 . . . . 0.0 110.848 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.482 ' O ' ' N ' ' A' ' 71' ' ' ALA . 53.3 Cg_endo -69.77 -40.05 5.77 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.68 2.253 . . . . 0.0 112.353 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.429 ' H ' ' CD2' ' A' ' 70' ' ' HIS . 37.9 m-70 -36.85 -29.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 69' ' ' PRO . . . -42.74 -60.66 1.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.067 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -131.78 153.55 50.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 36.6 m -142.92 134.36 26.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.105 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 69.8 mt -122.89 131.36 73.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.8 mttm -117.87 112.98 21.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 34.3 m -117.49 173.66 4.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.084 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -68.15 150.12 48.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 49.3 p90 -54.8 -48.82 72.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 59.7 mttt -37.96 -43.88 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.947 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -54.28 117.26 3.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -85.29 -32.85 22.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.472 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 7.3 p90 -147.01 167.99 22.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -139.81 144.05 37.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 90.4 m -110.64 104.15 12.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.146 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.514 ' CG2' HD11 ' A' ' 88' ' ' LEU . 33.4 mt -87.33 114.2 25.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.105 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -106.85 -179.17 3.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.879 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 60.81 50.51 5.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.514 HD11 ' CG2' ' A' ' 85' ' ' ILE . 33.6 mt -123.36 156.06 36.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -79.26 121.23 82.77 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.553 0.692 . . . . 0.0 110.879 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 179.14 3.9 Favored 'Trans proline' 0 C--N 1.34 0.114 0 C-N-CA 122.677 2.251 . . . . 0.0 112.326 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.5 p 42.24 51.37 4.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.847 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.3 m -151.51 141.37 21.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -81.03 122.84 27.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.855 ' CZ ' HD11 ' A' ' 66' ' ' ILE . 21.4 m-85 -117.22 135.06 54.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.944 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 98.4 t -98.34 106.62 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.468 HG21 HG11 ' A' ' 36' ' ' VAL . 3.2 mp -95.12 138.46 20.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.631 HG22 ' O ' ' A' ' 110' ' ' LEU . 66.4 p -135.37 157.7 46.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.089 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.585 HD22 ' CB ' ' A' ' 47' ' ' TRP . 9.3 tp -144.83 132.94 21.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.402 ' CG ' ' HB3' ' A' ' 61' ' ' ALA . 14.9 ptpt -135.69 133.75 38.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.447 ' C ' ' HG2' ' A' ' 28' ' ' PRO . . . -85.71 128.97 34.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.091 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -130.95 154.46 48.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.435 ' CG ' ' HD3' ' A' ' 28' ' ' PRO . 26.8 p-10 -152.01 -175.03 5.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -49.42 -38.55 29.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.676 HG11 ' HA ' ' A' ' 26' ' ' ARG . 39.0 t -61.99 -49.78 82.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.488 ' N ' HG12 ' A' ' 27' ' ' VAL . . . 170.68 -133.03 2.65 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.448 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -129.15 155.66 45.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.887 0.375 . . . . 0.0 110.891 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -102.79 -150.82 22.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.465 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.513 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -101.88 126.2 34.62 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.629 0.728 . . . . 0.0 111.12 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.41 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 54.3 Cg_endo -69.72 166.18 28.43 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.337 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.65 HD11 ' HG2' ' A' ' 31' ' ' PRO . 10.1 mt -108.96 179.12 4.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -140.25 114.52 9.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -129.4 175.53 8.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.6 p -133.0 140.17 47.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -150.04 111.48 4.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.085 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 57.8 t -98.46 106.8 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.131 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 58.2 p -49.82 125.46 11.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.137 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -44.63 153.42 0.47 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.575 0.703 . . . . 0.0 110.848 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.209 0 C-N-CA 122.703 2.268 . . . . 0.0 112.316 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.767 0.318 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.449 ' CD ' ' O ' ' A' ' 24' ' ' GLU . 5.5 tm-20 -128.15 33.85 4.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.4 p -99.57 -12.26 20.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.148 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.62 ' HA ' HG11 ' A' ' 104' ' ' VAL . 8.5 ptm180 -141.69 153.86 44.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.567 HG12 ' N ' ' A' ' 105' ' ' GLY . 33.1 m -71.09 151.8 94.78 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.624 0.726 . . . . 0.0 111.108 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.637 ' HA ' HG21 ' A' ' 55' ' ' ILE . 53.6 Cg_endo -69.76 109.05 2.21 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.7 2.266 . . . . 0.0 112.316 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 30' ' ' VAL . 9.5 mt-10 -56.56 158.65 4.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.656 HG23 ' HD2' ' A' ' 31' ' ' PRO . 4.2 p -34.69 138.15 0.35 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.665 0.745 . . . . 0.0 111.095 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.656 ' HD2' HG23 ' A' ' 30' ' ' VAL . 54.3 Cg_endo -69.77 166.89 26.09 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.725 2.283 . . . . 0.0 112.339 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.5 p -48.31 -48.63 35.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.84 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 83.4 p -173.82 -176.02 1.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.6 tp -152.88 112.48 3.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -96.75 147.73 23.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.509 HG11 ' HB ' ' A' ' 96' ' ' ILE . 4.0 m -137.4 131.81 44.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.402 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 52.5 ttt180 -117.85 110.11 40.54 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.586 0.707 . . . . 0.0 110.854 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 37' ' ' ARG . 53.5 Cg_endo -69.82 128.08 15.47 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.32 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.613 ' O ' HG22 ' A' ' 116' ' ' THR . 2.7 mp -120.67 154.47 35.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.595 HG12 HG23 ' A' ' 41' ' ' THR . 60.6 t -29.65 -71.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.595 HG23 HG12 ' A' ' 40' ' ' VAL . 40.2 p -119.71 24.94 10.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.125 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.446 ' C ' HG13 ' A' ' 43' ' ' ILE . 2.6 m -149.33 -178.76 6.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.446 HG13 ' C ' ' A' ' 42' ' ' SER . 60.5 mt -157.73 105.85 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.519 HG23 HD13 ' A' ' 39' ' ' LEU . 93.5 t -74.47 96.03 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.9 t -86.24 100.11 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.7 t -105.45 127.18 52.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.83 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.463 ' CZ3' HD11 ' A' ' 62' ' ' ILE . 44.1 p90 -128.28 -174.93 3.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -142.4 159.92 56.23 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.592 0.711 . . . . 0.0 111.145 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 161.35 46.26 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.402 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 51' ' ' GLU . 53.3 Cg_endo -69.78 129.09 16.97 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.64 2.227 . . . . 0.0 112.34 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 50' ' ' PRO . 2.0 tt0 -34.77 -40.45 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -91.86 106.43 18.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.957 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -77.55 -32.36 53.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -38.66 -43.09 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.637 HG21 ' HA ' ' A' ' 28' ' ' PRO . 56.4 mt -68.38 124.35 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 90.1 t -65.91 138.62 22.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.064 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.458 HG11 ' CZ ' ' A' ' 60' ' ' TYR . 96.7 t -130.03 107.82 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.089 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.495 ' NE ' ' OD1' ' A' ' 103' ' ' ASN . 18.6 mmt180 -74.55 -32.72 62.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 179.17 -169.7 41.07 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.493 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.458 ' CZ ' HG11 ' A' ' 57' ' ' VAL . 15.9 m-85 -135.68 152.09 50.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.844 0.355 . . . . 0.0 110.939 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -117.95 123.72 46.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.119 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.463 HD11 ' CZ3' ' A' ' 47' ' ' TRP . 42.9 mt -108.16 141.2 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.11 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -135.35 121.54 2.58 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -116.0 170.93 8.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.951 0.405 . . . . 0.0 110.913 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 148.74 125.34 1.44 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.533 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.566 HG13 ' CE2' ' A' ' 94' ' ' TYR . 27.7 mt -47.91 118.03 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.857 0.36 . . . . 0.0 111.167 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.78 -58.66 2.59 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.46 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.3 m -116.2 119.47 36.57 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.666 0.745 . . . . 0.0 110.852 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 1.5 4.37 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.676 2.25 . . . . 0.0 112.325 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -81.87 44.4 0.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.834 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -107.75 -54.53 2.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.104 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -145.23 147.14 32.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.6 m -120.06 135.8 54.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 24.8 mt -129.25 108.5 16.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.143 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.9 mtmt -99.97 112.84 25.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.8 m -108.36 158.51 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.164 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -51.96 179.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 37.5 p90 -83.18 -22.43 33.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.935 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.0 mmtt -82.51 39.21 0.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.404 ' HA ' ' NE2' ' A' ' 80' ' ' GLN . 6.8 mm100 -126.07 122.29 35.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -91.43 -33.67 15.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.413 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 6.1 p90 -148.52 169.29 20.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -141.3 128.62 21.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 48.1 m -90.91 102.65 15.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.139 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 62.7 mt -85.61 105.69 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -103.25 174.44 5.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 74.53 45.0 0.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 56.0 mt -121.18 157.05 31.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -87.78 129.96 48.62 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.647 0.737 . . . . 0.0 110.841 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.413 ' HA ' ' OG1' ' A' ' 116' ' ' THR . 53.6 Cg_endo -69.74 145.62 57.8 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.719 2.279 . . . . 0.0 112.332 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.451 ' N ' ' OG1' ' A' ' 116' ' ' THR . 6.8 t 74.98 54.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.8 p -159.29 129.16 5.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -78.47 126.67 31.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.566 ' CE2' HG13 ' A' ' 66' ' ' ILE . 26.9 m-85 -117.19 138.03 51.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 99.8 t -95.58 101.87 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.14 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.509 ' HB ' HG11 ' A' ' 36' ' ' VAL . 4.5 mp -90.23 138.56 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.685 HG22 ' O ' ' A' ' 110' ' ' LEU . 35.7 p -132.81 154.19 50.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.459 HD22 ' CB ' ' A' ' 47' ' ' TRP . 4.6 tp -145.57 131.21 18.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.3 ptpt -134.91 133.35 39.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 107' ' ' GLY . . . -84.25 130.5 34.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.063 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -133.38 165.61 24.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 36.5 p-10 -165.19 -179.87 5.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.495 ' OD1' ' NE ' ' A' ' 58' ' ' ARG . 30.1 m120 -46.18 -34.07 4.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.62 HG11 ' HA ' ' A' ' 26' ' ' ARG . 30.1 t -65.95 -47.46 85.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.567 ' N ' HG12 ' A' ' 27' ' ' VAL . . . 171.69 -129.99 1.86 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.513 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.407 ' O ' HG21 ' A' ' 27' ' ' VAL . 20.4 mt-10 -131.5 167.53 19.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.88 0.371 . . . . 0.0 110.894 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 100' ' ' ALA . . . -115.94 -172.37 16.76 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.5 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 4.9 mm -84.64 125.55 71.03 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.649 0.738 . . . . 0.0 111.139 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.413 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 53.5 Cg_endo -69.75 161.29 46.52 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.694 2.263 . . . . 0.0 112.333 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.685 ' O ' HG22 ' A' ' 97' ' ' THR . 45.8 mt -112.49 158.89 19.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.929 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -118.71 127.3 53.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.914 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -137.47 178.48 7.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.937 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 66.2 p -140.6 138.47 34.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -163.79 115.42 1.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.086 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -109.77 119.9 59.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.158 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.613 HG22 ' O ' ' A' ' 39' ' ' LEU . 12.7 p -41.46 158.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.165 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 39.5 mtt-85 -88.35 159.18 47.93 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.621 0.724 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--N 1.342 0.191 0 C-N-CA 122.704 2.269 . . . . 0.0 112.36 179.992 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 CA--C 1.526 0.044 0 CA-C-O 120.769 0.318 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.454 ' O ' ' CG2' ' A' ' 104' ' ' VAL . 24.1 tt0 -112.83 23.58 13.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.4 p -99.16 -5.53 29.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.4 ptt180 -138.78 149.92 45.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.483 HG21 ' O ' ' A' ' 106' ' ' GLU . 28.2 m -73.09 152.25 90.57 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.606 0.717 . . . . 0.0 111.157 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.611 ' HA ' HG21 ' A' ' 55' ' ' ILE . 53.3 Cg_endo -69.79 119.68 6.59 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.631 2.221 . . . . 0.0 112.328 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 30' ' ' VAL . 9.6 mt-10 -70.45 165.53 22.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.458 ' CG2' HD21 ' A' ' 110' ' ' LEU . 4.4 p -34.58 132.75 0.42 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.625 0.726 . . . . 0.0 111.101 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.585 ' HG2' HD11 ' A' ' 110' ' ' LEU . 53.8 Cg_endo -69.8 170.98 15.34 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.4 t -49.14 -49.76 40.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.7 t -174.87 -177.07 1.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.876 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.434 HD22 ' HB3' ' A' ' 98' ' ' LEU . 2.7 tp -149.3 113.63 5.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.94 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -97.72 148.15 23.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.8 m -141.36 144.18 26.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.112 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.598 ' HG3' HD12 ' A' ' 39' ' ' LEU . 10.3 tpp180 -129.59 107.92 17.25 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.666 0.746 . . . . 0.0 110.85 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 37' ' ' ARG . 53.6 Cg_endo -69.74 127.67 14.94 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.694 2.263 . . . . 0.0 112.342 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.657 ' CD1' HG23 ' A' ' 44' ' ' VAL . 3.5 mp -122.18 154.55 37.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.472 ' C ' ' O ' ' A' ' 39' ' ' LEU . 11.3 t -31.58 -69.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.6 p -119.72 22.56 11.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.104 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.499 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 14.1 p -145.85 -179.94 7.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.499 ' CG1' ' O ' ' A' ' 42' ' ' SER . 23.5 mt -160.57 105.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.087 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.657 HG23 ' CD1' ' A' ' 39' ' ' LEU . 2.3 t -76.83 97.58 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 60.6 t -90.53 102.59 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.081 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.7 t -108.18 128.32 54.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.789 ' CZ3' HD11 ' A' ' 62' ' ' ILE . 46.1 p90 -126.2 -179.82 4.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.6 p -137.86 151.08 69.68 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.58 0.705 . . . . 0.0 111.093 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 157.74 59.26 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.659 2.239 . . . . 0.0 112.324 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.471 ' O ' ' N ' ' A' ' 52' ' ' ASN . 53.4 Cg_endo -69.78 118.06 5.46 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.683 2.256 . . . . 0.0 112.371 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 50' ' ' PRO . 34.0 mm-40 -38.08 -28.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.914 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 50' ' ' PRO . 11.9 t-20 -84.68 91.69 7.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.942 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -70.37 -31.54 68.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -42.27 -39.57 2.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.611 HG21 ' HA ' ' A' ' 28' ' ' PRO . 33.1 mt -77.14 117.78 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 35.8 t -66.88 131.84 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.124 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.8 t -123.68 136.78 59.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -100.44 -29.53 12.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.421 ' HA2' ' C ' ' A' ' 77' ' ' ASP . . . 174.14 -178.62 45.92 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.474 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.573 ' CE2' ' HA ' ' A' ' 78' ' ' TYR . 23.5 m-85 -127.92 164.57 21.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.856 0.36 . . . . 0.0 110.971 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.477 ' HB1' HG23 ' A' ' 73' ' ' THR . . . -127.45 128.13 45.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.093 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.789 HD11 ' CZ3' ' A' ' 47' ' ' TRP . 15.9 mt -110.59 112.44 40.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.149 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -102.11 128.12 9.45 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.451 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.511 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 9.3 p90 -132.7 151.13 52.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.963 0.411 . . . . 0.0 110.923 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 165.31 137.13 2.13 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.482 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.7 mt -62.09 105.65 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.942 0.401 . . . . 0.0 111.09 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.99 -48.29 0.96 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.5 m -148.48 142.09 15.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.683 0.754 . . . . 0.0 110.869 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 71' ' ' ALA . 52.9 Cg_endo -69.86 -35.81 11.67 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.703 2.269 . . . . 0.0 112.317 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 71' ' ' ALA . 49.7 m-70 -41.76 -24.65 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 64' ' ' TYR . . . -35.88 -57.79 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -146.4 167.69 22.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.477 HG23 ' HB1' ' A' ' 61' ' ' ALA . 100.0 m -135.48 127.26 29.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.17 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 94.3 mt -111.77 107.93 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.104 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.546 ' HE3' ' CZ ' ' A' ' 101' ' ' PHE . 6.2 mtpp -110.48 137.86 47.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.653 HG23 ' H ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -132.5 -77.24 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.896 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.653 ' H ' HG23 ' A' ' 76' ' ' VAL . 3.8 m-20 -175.4 -175.35 0.8 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.573 ' HA ' ' CE2' ' A' ' 60' ' ' TYR . 45.0 p90 -84.31 -23.09 30.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.937 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -71.07 -44.48 65.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.886 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -50.62 125.15 12.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -97.03 -35.43 10.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -144.86 160.44 41.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -139.22 132.64 30.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 88.0 m -92.11 110.98 22.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.174 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 39.9 mt -89.44 106.58 17.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.402 ' C ' ' ND2' ' A' ' 87' ' ' ASN . 41.8 mt-10 -103.04 171.64 7.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.402 ' ND2' ' C ' ' A' ' 86' ' ' GLU . 5.6 m-80 74.96 41.81 0.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 14.0 mt -119.15 158.79 25.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -90.8 136.26 27.98 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.562 0.696 . . . . 0.0 110.889 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 168.7 20.87 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.656 2.237 . . . . 0.0 112.312 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.7 m 46.31 53.23 9.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.5 m -148.11 133.69 18.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 15.4 t-160 -83.59 130.26 34.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.833 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -124.64 142.29 51.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 57.2 t -102.02 111.68 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.15 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 3.8 mp -100.2 131.44 47.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.808 HG22 ' O ' ' A' ' 110' ' ' LEU . 40.4 p -131.54 120.33 22.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.642 HD22 ' CB ' ' A' ' 47' ' ' TRP . 9.7 tp -107.86 139.47 42.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -140.71 148.61 41.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.446 ' C ' ' HG2' ' A' ' 28' ' ' PRO . . . -97.14 129.04 44.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.546 ' CZ ' ' HE3' ' A' ' 75' ' ' LYS . 31.6 p90 -137.27 136.12 37.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 51.9 p-10 -125.37 -174.9 3.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -55.4 -23.88 27.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.853 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.454 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 61.3 t -77.19 -41.6 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.169 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.41 ' N ' HG12 ' A' ' 27' ' ' VAL . . . 166.84 -153.68 23.56 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.472 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.483 ' O ' HG21 ' A' ' 27' ' ' VAL . 13.3 mt-10 -107.77 179.92 4.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.911 0.386 . . . . 0.0 110.897 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -129.2 -144.92 5.8 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.486 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.484 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -106.6 119.22 52.33 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.651 0.739 . . . . 0.0 111.098 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 164.22 35.36 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.662 2.241 . . . . 0.0 112.367 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.808 ' O ' HG22 ' A' ' 97' ' ' THR . 10.3 mt -109.09 -177.97 3.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.939 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -136.8 120.45 17.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -131.18 174.84 9.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 45.2 p -139.08 133.78 32.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -144.37 121.44 11.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 82.9 t -109.36 107.58 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 34.7 p -57.77 132.37 53.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.144 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 46.6 mtp180 -62.08 151.5 80.65 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.603 0.716 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.171 0 C-N-CA 122.708 2.272 . . . . 0.0 112.374 -179.972 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.42 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.74 0.305 . . . . 0.0 110.913 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.492 ' O ' ' CG2' ' A' ' 104' ' ' VAL . 14.5 tt0 -123.97 28.31 6.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 65.7 p -101.07 -23.31 14.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.155 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.3 ptt-85 -120.5 145.67 47.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.46 HG12 ' N ' ' A' ' 105' ' ' GLY . 11.5 m -76.91 148.38 78.84 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.636 0.731 . . . . 0.0 111.133 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 101.96 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.713 2.276 . . . . 0.0 112.327 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -56.62 177.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.5 p -38.0 130.55 0.96 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.617 0.723 . . . . 0.0 111.147 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.423 ' HG2' ' CD1' ' A' ' 110' ' ' LEU . 54.0 Cg_endo -69.75 171.17 14.95 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.694 2.263 . . . . 0.0 112.357 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.5 t -45.92 -56.02 6.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.4 m -169.13 -176.26 2.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.451 HD22 ' HB3' ' A' ' 98' ' ' LEU . 4.6 tp -155.71 117.13 3.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 23.2 t-80 -107.44 142.76 36.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.683 HG11 ' HB ' ' A' ' 96' ' ' ILE . 27.9 m -132.55 130.12 59.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.419 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 3.8 tmt_? -112.16 107.97 55.39 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.575 0.702 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.528 ' HB3' ' HB1' ' A' ' 114' ' ' ALA . 53.8 Cg_endo -69.79 128.87 16.62 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.683 2.255 . . . . 0.0 112.34 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.473 HD13 HG23 ' A' ' 44' ' ' VAL . 2.5 mp -121.93 154.33 37.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.536 HG12 HG23 ' A' ' 41' ' ' THR . 44.5 t -31.44 -73.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.536 HG23 HG12 ' A' ' 40' ' ' VAL . 72.9 p -115.35 25.67 10.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.149 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.435 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 6.9 m -151.17 178.89 8.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.435 ' CG1' ' O ' ' A' ' 42' ' ' SER . 40.0 mt -158.38 112.52 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.103 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.631 HG13 ' CD2' ' A' ' 82' ' ' TYR . 96.8 t -83.91 99.45 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.41 HG13 HG12 ' A' ' 36' ' ' VAL . 86.2 t -90.76 100.21 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.151 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.401 ' HA ' ' CB ' ' A' ' 82' ' ' TYR . 10.4 p -101.11 139.65 36.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.554 ' CZ3' ' HA ' ' A' ' 82' ' ' TYR . 47.2 p90 -138.96 -179.89 6.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 56.3 p -143.54 152.71 57.32 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.603 0.716 . . . . 0.0 111.14 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 161.52 45.59 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.668 2.245 . . . . 0.0 112.394 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 127.0 14.0 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.718 2.279 . . . . 0.0 112.324 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -42.11 -36.37 1.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -70.48 97.51 1.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -83.31 37.74 0.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -122.39 -20.91 5.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 44.9 mt -85.81 128.23 39.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 23' ' ' ASP . 84.7 t -71.28 107.41 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 64.3 t -103.59 114.29 42.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.069 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.425 ' HB3' ' NH1' ' A' ' 58' ' ' ARG . 4.7 mmm180 -81.93 -44.19 17.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -172.03 -179.2 42.8 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.487 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.507 ' HB3' HD11 ' A' ' 98' ' ' LEU . 19.5 m-85 -125.45 168.73 13.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.915 0.388 . . . . 0.0 110.894 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -130.58 122.06 26.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.099 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.405 HD11 ' CZ3' ' A' ' 47' ' ' TRP . 16.8 mt -100.15 137.95 26.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.104 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -135.57 124.28 3.27 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.412 ' CD1' ' N ' ' A' ' 64' ' ' TYR . 3.5 p90 -125.5 172.04 10.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.935 0.398 . . . . 0.0 110.89 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 153.56 145.47 4.16 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.515 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.74 HD11 ' CZ ' ' A' ' 94' ' ' TYR . 47.1 mm -57.67 105.69 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.843 0.354 . . . . 0.0 111.15 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 77.37 -48.02 2.77 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.522 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 26.0 m -115.82 121.05 34.74 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.595 0.712 . . . . 0.0 110.867 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 1.4 4.48 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.666 2.244 . . . . 0.0 112.352 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.406 ' O ' ' CG ' ' A' ' 70' ' ' HIS . 0.4 OUTLIER -86.53 42.8 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -107.95 -53.96 2.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -139.58 153.33 47.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.4 m -135.81 130.05 33.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.176 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 70.1 mt -117.33 117.03 53.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.1 mttt -99.3 123.63 43.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 34.9 m -138.99 162.36 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.146 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.24 158.53 7.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.826 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.426 ' CD2' ' N ' ' A' ' 79' ' ' LYS . 52.0 p90 -61.73 -50.44 72.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.426 ' N ' ' CD2' ' A' ' 78' ' ' TYR . 35.8 mttt -36.59 -50.21 0.79 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.867 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.443 ' O ' ' CZ2' ' A' ' 47' ' ' TRP . 52.6 mm-40 -37.46 112.48 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.966 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 12.0 tpp85 -74.17 -40.64 62.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.631 ' CD2' HG13 ' A' ' 44' ' ' VAL . 18.8 p90 -155.69 165.73 35.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -130.23 142.01 50.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.949 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 61.7 m -105.19 105.07 14.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.112 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 29.2 mt -87.6 105.43 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -101.97 170.94 7.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 73.89 45.74 0.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 29.4 mt -119.98 157.71 28.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.14 121.32 83.78 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.596 0.712 . . . . 0.0 110.876 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 171.7 14.0 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.71 2.274 . . . . 0.0 112.321 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.3 p 50.31 54.99 10.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.823 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.2 m -156.42 148.0 22.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.815 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -92.92 117.59 30.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.74 ' CZ ' HD11 ' A' ' 66' ' ' ILE . 21.9 m-85 -108.86 151.06 26.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.953 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 58.6 t -110.16 107.38 22.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.159 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.683 ' HB ' HG11 ' A' ' 36' ' ' VAL . 3.4 mp -96.2 136.96 25.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 72.5 p -135.51 142.82 45.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.158 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.521 HD22 ' CB ' ' A' ' 47' ' ' TRP . 3.3 tp -134.58 144.53 47.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.919 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -147.28 130.45 16.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.87 125.3 29.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.531 ' CB ' ' HB3' ' A' ' 106' ' ' GLU . 3.8 p90 -127.67 144.27 51.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' A' ' 105' ' ' GLY . 40.8 p-10 -136.43 -175.04 3.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -48.31 -42.74 31.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 41.7 t -68.65 -49.8 61.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.46 ' N ' HG12 ' A' ' 27' ' ' VAL . . . 164.63 -165.2 37.32 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.538 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.531 ' HB3' ' CB ' ' A' ' 101' ' ' PHE . 1.4 pm0 -117.81 166.3 12.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.924 0.393 . . . . 0.0 110.908 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -107.09 -131.74 6.78 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.504 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.555 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -102.68 128.84 27.1 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.602 0.715 . . . . 0.0 111.155 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 168.87 20.26 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.765 2.31 . . . . 0.0 112.361 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.423 ' CD1' ' HG2' ' A' ' 31' ' ' PRO . 25.3 mt -109.07 155.89 20.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -113.57 127.85 56.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -137.45 179.55 6.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 25.3 p -142.22 146.46 35.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.528 ' HB1' ' HB3' ' A' ' 38' ' ' PRO . . . -156.71 119.94 4.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 85.2 t -99.53 98.41 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.129 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 117' ' ' ARG . 16.0 p -44.47 122.61 3.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 116' ' ' THR . 6.5 mmm180 -36.75 144.29 0.29 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.619 0.723 . . . . 0.0 110.866 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.232 0.209 0 C-N-CA 122.695 2.264 . . . . 0.0 112.354 179.989 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -127.35 99.48 5.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.926 0.393 . . . . 0.0 110.88 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 4' ' ' GLY . 97.1 p 38.09 41.64 0.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.89 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 34.56 -137.33 0.24 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.482 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.5 m -163.59 176.73 9.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.859 0.362 . . . . 0.0 110.889 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.7 t -156.55 177.05 11.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.36 87.06 0.18 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.511 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 154.26 67.83 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.669 2.246 . . . . 0.0 112.348 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -161.1 143.84 12.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.2 t -172.39 136.53 0.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -172.43 159.87 4.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -99.97 155.85 17.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.638 HD22 ' C ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -142.13 170.3 15.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.489 ' N ' HD22 ' A' ' 13' ' ' LEU . 2.9 t -116.61 92.05 3.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -174.96 160.14 2.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.174 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -63.06 179.08 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.47 ' O ' HG22 ' A' ' 17' ' ' THR . 13.9 m -97.43 46.94 1.03 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.111 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.448 ' C ' ' O ' ' A' ' 17' ' ' THR . 63.3 t80 34.44 44.67 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.75 127.76 10.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.864 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 96.4 p -70.35 -19.88 63.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.841 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.06 -40.86 77.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 37.7 mt -39.84 149.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -75.05 93.05 2.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.487 ' CG ' ' OD1' ' A' ' 103' ' ' ASN . 19.2 tt0 -120.82 18.58 11.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.9 t -93.17 -10.75 34.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.171 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.435 ' HA ' HG11 ' A' ' 104' ' ' VAL . 0.4 OUTLIER -137.16 165.7 25.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.526 HG12 ' N ' ' A' ' 105' ' ' GLY . 21.2 m -84.2 145.82 46.73 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.574 0.702 . . . . 0.0 111.165 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 103.39 1.15 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.729 2.286 . . . . 0.0 112.333 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -56.97 170.95 0.39 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.674 HG23 ' HD2' ' A' ' 31' ' ' PRO . 4.6 p -38.24 138.81 0.69 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.657 0.741 . . . . 0.0 111.125 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.674 ' HD2' HG23 ' A' ' 30' ' ' VAL . 53.9 Cg_endo -69.74 169.82 18.0 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.652 2.235 . . . . 0.0 112.373 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 54.5 p -49.42 -46.81 48.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.838 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -174.94 -176.28 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.4 tp -153.61 117.88 4.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 -108.34 143.7 36.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.1 m -133.46 138.46 51.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.077 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.411 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 22.6 ttt85 -120.69 107.84 37.93 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.606 0.717 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 37' ' ' ARG . 53.6 Cg_endo -69.74 129.83 18.31 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.7 2.267 . . . . 0.0 112.389 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.475 ' O ' HG22 ' A' ' 116' ' ' THR . 2.9 mp -122.44 154.29 37.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.627 HG12 HG23 ' A' ' 41' ' ' THR . 60.7 t -31.88 -72.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.068 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.627 HG23 HG12 ' A' ' 40' ' ' VAL . 67.3 p -117.22 24.37 11.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.124 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.476 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 15.5 m -148.19 -179.26 6.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.828 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.476 ' CG1' ' O ' ' A' ' 42' ' ' SER . 44.4 mt -159.72 109.54 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.153 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.461 HG23 HD13 ' A' ' 39' ' ' LEU . 72.5 t -82.71 97.72 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.162 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 64.4 t -87.57 101.87 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.45 ' HA ' ' CB ' ' A' ' 82' ' ' TYR . 53.0 p -106.14 125.23 50.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.557 ' CZ3' ' HA ' ' A' ' 82' ' ' TYR . 49.1 p90 -121.6 -179.68 4.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.953 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.8 p -144.04 144.18 25.41 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.601 0.715 . . . . 0.0 111.12 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 164.61 33.88 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.641 2.227 . . . . 0.0 112.346 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 51' ' ' GLU . 53.6 Cg_endo -69.75 133.51 25.76 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.735 2.29 . . . . 0.0 112.31 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 50' ' ' PRO . 5.3 mp0 -34.85 -45.75 0.27 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -71.09 109.69 5.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -95.34 37.4 1.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -115.67 -26.58 7.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 25.0 mt -73.09 128.11 35.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.148 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 63.0 t -67.98 110.05 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.643 HG11 ' CZ ' ' A' ' 60' ' ' TYR . 90.9 t -108.64 113.19 43.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.131 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -77.04 -47.93 19.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -173.76 176.35 46.31 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.51 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.643 ' CZ ' HG11 ' A' ' 57' ' ' VAL . 12.2 m-85 -124.64 170.65 10.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.879 0.371 . . . . 0.0 110.923 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.501 ' HB2' ' HE2' ' A' ' 75' ' ' LYS . . . -122.57 137.59 54.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.053 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 23.8 mt -117.94 107.81 22.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -102.48 132.85 11.15 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 47.7 p90 -138.39 158.52 44.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.916 0.389 . . . . 0.0 110.933 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 149.74 142.5 3.59 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.515 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.595 HD11 ' CZ ' ' A' ' 94' ' ' TYR . 4.3 mp -68.16 117.93 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.867 0.365 . . . . 0.0 111.142 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 100.63 -43.24 1.78 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 t -159.29 141.1 9.77 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.664 0.745 . . . . 0.0 110.847 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.479 ' HG3' HG21 ' A' ' 97' ' ' THR . 54.2 Cg_endo -69.73 -23.28 31.11 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.689 2.259 . . . . 0.0 112.341 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -52.97 -28.61 24.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -41.04 -64.56 0.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.057 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -132.67 152.1 51.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 89.0 m -136.78 141.46 42.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.141 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 72.7 mt -125.69 126.53 70.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.501 ' HE2' ' HB2' ' A' ' 61' ' ' ALA . 27.9 mmtp -107.98 137.88 45.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 24.6 m -137.77 -174.98 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.11 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -93.93 154.57 17.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.467 ' CD1' ' N ' ' A' ' 79' ' ' LYS . 20.2 p90 -47.79 -53.31 15.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.467 ' N ' ' CD1' ' A' ' 78' ' ' TYR . 4.7 mtpm? -37.55 -47.68 0.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.428 ' OE1' ' N ' ' A' ' 80' ' ' GLN . 2.4 mp0 -53.02 127.19 23.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -100.01 -33.7 10.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.557 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 39.6 p90 -148.1 157.8 43.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.968 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -126.8 128.34 46.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 96.9 m -97.37 93.58 6.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.144 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.408 ' HB ' HD11 ' A' ' 88' ' ' LEU . 32.2 mt -73.8 104.75 2.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.173 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.456 ' C ' ' CG ' ' A' ' 87' ' ' ASN . 47.5 mt-10 -92.86 -176.02 4.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.456 ' CG ' ' C ' ' A' ' 86' ' ' GLU . 0.5 OUTLIER 48.5 52.68 13.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.435 ' CD1' HG13 ' A' ' 43' ' ' ILE . 57.7 mt -109.25 -176.17 2.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -108.41 118.65 51.69 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.615 0.722 . . . . 0.0 110.863 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 165.23 31.63 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.685 2.256 . . . . 0.0 112.338 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.6 m 53.32 49.62 19.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.3 m -153.98 133.02 12.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.864 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -79.3 112.23 16.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.834 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.595 ' CZ ' HD11 ' A' ' 66' ' ' ILE . 16.9 m-85 -102.09 125.57 48.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 87.2 t -89.01 103.39 13.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.139 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.452 HD12 ' O ' ' A' ' 94' ' ' TYR . 4.5 mp -95.72 133.13 37.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.635 HG22 ' O ' ' A' ' 110' ' ' LEU . 37.3 p -123.63 162.79 22.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.516 HD22 ' CB ' ' A' ' 47' ' ' TRP . 11.1 tp -148.54 129.8 14.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.424 ' HG2' ' HB3' ' A' ' 61' ' ' ALA . 14.6 ptpt -138.02 136.31 36.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.47 128.49 36.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 43.9 p90 -132.7 144.96 50.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 40.7 p-10 -141.63 -175.8 4.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.487 ' OD1' ' CG ' ' A' ' 24' ' ' GLU . 5.7 p-10 -53.54 -31.92 48.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.435 HG11 ' HA ' ' A' ' 26' ' ' ARG . 99.0 t -69.95 -44.62 78.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.162 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.526 ' N ' HG12 ' A' ' 27' ' ' VAL . . . 164.23 -170.51 39.47 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -97.45 156.69 16.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.952 0.406 . . . . 0.0 110.834 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -105.8 -150.73 19.15 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.534 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.536 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -101.14 125.43 38.08 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.653 0.74 . . . . 0.0 111.119 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 161.34 46.32 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.671 2.248 . . . . 0.0 112.401 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.635 ' O ' HG22 ' A' ' 97' ' ' THR . 40.9 mt -110.05 163.78 13.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.915 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -122.78 124.49 43.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.975 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -133.38 178.34 6.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 25.1 p -141.66 138.43 32.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -149.25 111.05 4.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.053 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 58.1 t -98.68 108.41 22.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.475 HG22 ' O ' ' A' ' 39' ' ' LEU . 12.3 p -59.23 138.32 57.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -64.04 150.08 92.57 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.581 0.705 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 110.71 2.63 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.672 2.248 . . . . 0.0 112.335 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -53.71 -54.68 34.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 20.8 p 42.11 39.71 1.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.146 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 59.6 p 39.1 39.31 0.38 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.827 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 139.99 82.95 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.453 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -4.87 14.93 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.645 2.23 . . . . 0.0 112.378 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 3.6 t -57.31 149.31 20.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.9 t 64.35 41.36 5.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.483 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.0 p -74.91 168.58 19.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.874 0.369 . . . . 0.0 110.859 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.9 t -164.29 154.8 14.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.822 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.51 72.6 0.24 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.49 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.3 m -96.89 86.14 3.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.889 0.376 . . . . 0.0 110.861 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.9 p -168.98 152.13 5.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.2 83.9 0.17 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 143.95 52.23 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.668 2.245 . . . . 0.0 112.295 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -172.52 136.84 0.79 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.6 p -120.37 174.49 6.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.16 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -53.55 102.01 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.854 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 77.4 m95 -55.53 99.26 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.754 ' H ' HD23 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -78.88 161.64 26.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.93 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.6 t -63.29 137.77 58.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.52 -55.61 4.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.113 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -159.94 166.38 30.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.7 t -76.91 128.0 33.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.178 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -141.14 132.73 27.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -71.64 166.04 22.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 75.7 m -96.33 45.52 1.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -120.29 84.22 2.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.6 mp -128.82 176.47 7.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -90.56 108.58 19.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -120.06 30.04 7.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.3 t -105.2 -18.19 14.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.672 ' CA ' HG11 ' A' ' 104' ' ' VAL . 24.5 ptt180 -126.83 170.41 12.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.821 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.56 HG12 ' N ' ' A' ' 105' ' ' GLY . 19.1 m -93.21 147.62 34.13 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.611 0.719 . . . . 0.0 111.138 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.423 ' HD3' ' CG ' ' A' ' 102' ' ' ASN . 53.9 Cg_endo -69.69 102.02 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.664 2.242 . . . . 0.0 112.385 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 30' ' ' VAL . 6.0 mm-40 -53.13 169.59 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.501 HG23 ' HD2' ' A' ' 31' ' ' PRO . 7.5 p -37.87 134.66 0.83 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.652 0.739 . . . . 0.0 111.107 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.501 ' HD2' HG23 ' A' ' 30' ' ' VAL . 53.8 Cg_endo -69.71 -179.97 3.26 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.689 2.26 . . . . 0.0 112.341 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.42 ' OG ' ' N ' ' A' ' 33' ' ' SER . 3.6 p -51.12 -58.23 6.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.814 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.42 ' N ' ' OG ' ' A' ' 32' ' ' SER . 79.7 p -166.11 -175.0 3.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.818 ' HB3' HD13 ' A' ' 110' ' ' LEU . 2.7 tp -153.58 119.84 5.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.93 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -105.77 149.82 26.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.0 m -137.88 138.39 44.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.402 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 21.4 ttt180 -124.48 109.25 28.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.661 0.743 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 37' ' ' ARG . 54.3 Cg_endo -69.73 128.02 15.45 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.668 2.245 . . . . 0.0 112.394 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.491 ' O ' ' C ' ' A' ' 40' ' ' VAL . 4.7 mp -121.37 154.65 36.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.562 HG12 HG23 ' A' ' 41' ' ' THR . 59.3 t -30.21 -72.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.562 HG23 HG12 ' A' ' 40' ' ' VAL . 29.6 p -119.47 24.63 10.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.466 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 17.5 p -148.46 -178.4 6.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.82 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.466 ' CG1' ' O ' ' A' ' 42' ' ' SER . 52.7 mt -159.25 108.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.119 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.504 HG13 ' CD2' ' A' ' 82' ' ' TYR . 87.2 t -77.83 95.19 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.101 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.9 t -85.07 101.69 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 41.3 p -103.99 126.77 51.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.601 ' CB ' HD22 ' A' ' 98' ' ' LEU . 48.3 p90 -126.36 -175.31 3.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.4 p -145.88 156.83 51.53 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.562 0.696 . . . . 0.0 111.176 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 161.08 47.29 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.668 2.246 . . . . 0.0 112.406 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 142.73 48.69 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.708 2.272 . . . . 0.0 112.345 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -50.48 -47.11 57.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.845 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -83.92 98.06 9.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 54' ' ' ASN . 17.2 mm100 -71.51 -35.44 70.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 53' ' ' GLN . 2.0 m-80 -35.28 -41.5 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 56.2 mt -69.26 131.01 34.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 93.2 t -65.06 143.31 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.128 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.1 t -140.76 113.32 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -82.24 -38.84 23.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -178.14 -169.96 39.68 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.513 ' CD1' ' HA ' ' A' ' 78' ' ' TYR . 17.2 m-85 -134.17 150.92 51.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.872 0.368 . . . . 0.0 110.914 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -111.86 131.2 55.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.077 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.536 HD11 ' CH2' ' A' ' 47' ' ' TRP . 18.9 mt -109.56 135.21 49.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -130.29 137.37 9.47 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -143.2 144.59 32.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.909 0.385 . . . . 0.0 110.92 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 176.67 132.88 1.71 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.52 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 43.5 mt -60.4 105.13 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.83 0.347 . . . . 0.0 111.105 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 106.6 -40.14 2.61 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.487 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.7 t -158.34 141.5 10.83 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.648 0.737 . . . . 0.0 110.877 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 2.34 3.58 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.688 2.259 . . . . 0.0 112.353 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -86.68 41.58 0.96 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -114.35 -49.28 2.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 55.5 mm-40 -141.04 157.88 44.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.6 m -141.51 129.82 22.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 91.4 mt -123.95 108.29 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -97.12 123.67 40.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.922 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 33.4 m -136.22 155.83 35.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.112 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -44.85 153.44 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.513 ' HA ' ' CD1' ' A' ' 60' ' ' TYR . 52.5 p90 -59.54 -48.07 83.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 80' ' ' GLN . 8.6 mtmp? -39.52 -47.12 1.83 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 79' ' ' LYS . 6.4 mm-40 -35.4 112.01 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -78.35 -38.17 42.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.844 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.504 ' CD2' HG13 ' A' ' 44' ' ' VAL . 24.1 p90 -157.79 162.55 38.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -132.7 141.03 48.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 50.2 m -103.71 94.22 5.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.17 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 59.8 mt -68.47 117.58 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -105.44 179.74 4.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 67.26 44.26 1.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 64.6 mt -118.15 166.5 12.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -111.38 136.13 20.98 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.575 0.702 . . . . 0.0 110.902 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 161.14 47.07 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.404 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 m 62.02 46.51 6.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 42.4 m -152.06 133.55 14.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.805 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.439 ' CE1' ' CG2' ' A' ' 95' ' ' VAL . 4.4 t-80 -80.0 131.8 35.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.877 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.553 ' O ' HD12 ' A' ' 96' ' ' ILE . 61.3 m-85 -124.23 120.77 33.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.439 ' CG2' ' CE1' ' A' ' 93' ' ' HIS . 99.7 t -85.71 109.83 18.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.157 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.553 HD12 ' O ' ' A' ' 94' ' ' TYR . 4.2 mp -100.3 135.3 36.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.793 HG22 ' O ' ' A' ' 110' ' ' LEU . 38.5 p -128.95 145.14 51.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.601 HD22 ' CB ' ' A' ' 47' ' ' TRP . 11.9 tp -131.67 132.86 44.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.0 ptpp? -136.53 127.26 27.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 107' ' ' GLY . . . -83.03 122.66 28.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.087 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -122.26 168.83 11.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.423 ' CG ' ' HD3' ' A' ' 28' ' ' PRO . 43.0 p-10 -161.44 -175.13 4.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -52.8 -34.41 53.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.672 HG11 ' CA ' ' A' ' 26' ' ' ARG . 99.1 t -65.88 -49.28 78.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.56 ' N ' HG12 ' A' ' 27' ' ' VAL . . . 178.07 -129.47 1.43 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.47 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.429 ' O ' HG21 ' A' ' 27' ' ' VAL . 26.6 mt-10 -130.99 158.62 39.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.886 0.374 . . . . 0.0 110.867 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 100' ' ' ALA . . . -102.1 -175.0 27.75 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.523 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 6.1 mm -82.29 127.47 71.11 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.621 0.724 . . . . 0.0 111.116 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.421 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 53.6 Cg_endo -69.72 162.66 41.19 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.738 2.292 . . . . 0.0 112.327 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.818 HD13 ' HB3' ' A' ' 34' ' ' LEU . 32.9 mt -110.43 178.85 4.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.965 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -139.15 115.01 10.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -129.05 176.38 7.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 52.8 p -140.97 134.29 29.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -144.2 114.22 7.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.096 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 97.5 t -99.4 96.07 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.087 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 23.0 p -41.54 141.4 0.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.18 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 48.3 mtt-85 -51.11 157.09 1.57 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.594 0.712 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -4.18 13.49 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.688 2.259 . . . . 0.0 112.357 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.519 ' CG ' ' O ' ' A' ' 119' ' ' HIS . 32.9 t60 50.03 44.73 25.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 27.6 m -111.02 90.56 3.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 66.1 m -68.22 -58.0 5.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 116.3 -168.7 12.78 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.523 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 133.55 25.77 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 51.3 p -79.13 138.44 37.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.826 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 34.2 p -166.54 173.18 10.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.851 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.5 -179.94 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.9 m 62.29 42.9 8.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.878 0.371 . . . . 0.0 110.888 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 t -71.0 177.02 3.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.03 -157.56 7.35 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.466 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -145.57 157.48 43.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.824 0.345 . . . . 0.0 110.883 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.3 p -126.72 151.22 48.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.835 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.71 147.56 26.72 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.47 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 129.93 18.45 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.739 2.293 . . . . 0.0 112.385 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.8 144.97 55.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.111 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.2 t -65.08 152.02 44.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.131 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 12' ' ' TRP . 25.1 m-20 -121.37 92.1 3.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.447 ' C ' ' O ' ' A' ' 11' ' ' ASP . 5.0 m-90 -34.95 137.88 0.12 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 26.3 mt -83.11 -45.57 13.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 90.2 p -140.97 109.65 6.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.49 -44.9 0.75 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.052 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -154.59 143.94 21.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.1 m -103.05 82.76 2.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.173 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.45 ' O ' ' C ' ' A' ' 19' ' ' GLU . 0.7 OUTLIER -165.17 124.05 1.73 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 18' ' ' PHE . 1.8 tp10 -34.57 148.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.7 p -82.21 42.04 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.829 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -118.47 38.75 3.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.9 mt -111.37 164.7 12.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.934 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -89.94 124.11 34.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -128.09 32.46 4.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 65.6 p -106.87 -19.86 13.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.142 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -123.44 150.65 43.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.836 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.515 HG12 ' N ' ' A' ' 105' ' ' GLY . 29.6 m -77.95 148.36 75.29 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.662 0.744 . . . . 0.0 111.137 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.485 ' HD3' ' ND2' ' A' ' 102' ' ' ASN . 54.2 Cg_endo -69.69 102.84 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.718 2.279 . . . . 0.0 112.31 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -49.23 179.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.661 HG23 ' HD2' ' A' ' 31' ' ' PRO . 4.7 p -47.83 138.85 9.51 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.618 0.723 . . . . 0.0 111.134 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.661 ' HD2' HG23 ' A' ' 30' ' ' VAL . 53.7 Cg_endo -69.73 167.58 23.98 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.725 2.283 . . . . 0.0 112.316 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -48.75 -50.14 35.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 t -174.07 -176.99 1.24 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.843 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 tp -153.98 110.11 3.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -98.2 141.75 30.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.823 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.4 m -128.16 139.31 52.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.57 ' HG3' HD12 ' A' ' 39' ' ' LEU . 15.3 tpp180 -123.72 107.72 31.24 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.652 0.739 . . . . 0.0 110.838 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 37' ' ' ARG . 53.6 Cg_endo -69.81 127.77 15.02 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.674 2.25 . . . . 0.0 112.358 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.704 ' CD1' HG23 ' A' ' 44' ' ' VAL . 5.0 mp -121.87 154.4 37.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.648 HG12 HG23 ' A' ' 41' ' ' THR . 94.9 t -31.18 -71.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.648 HG23 HG12 ' A' ' 40' ' ' VAL . 43.9 p -119.12 23.68 11.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.104 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.5 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 1.4 t -147.47 -177.85 5.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.871 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.5 ' CG1' ' O ' ' A' ' 42' ' ' SER . 23.1 mt -160.76 105.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.704 HG23 ' CD1' ' A' ' 39' ' ' LEU . 2.6 t -77.62 97.92 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 72.0 t -86.64 100.09 9.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.11 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 85.3 p -105.3 124.55 49.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.518 ' CZ2' ' O ' ' A' ' 80' ' ' GLN . 45.2 p90 -125.43 -176.36 3.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.4 p -137.7 153.92 74.43 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.571 0.701 . . . . 0.0 111.143 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 161.77 44.66 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.698 2.265 . . . . 0.0 112.338 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 122.81 9.49 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.672 2.248 . . . . 0.0 112.34 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.5 mp0 -39.26 -41.37 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -71.12 108.09 4.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -93.29 35.04 1.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.945 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -113.6 -26.95 8.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.471 HD13 ' HA ' ' A' ' 28' ' ' PRO . 12.4 mt -84.47 127.38 39.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.166 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 77.2 t -68.79 118.41 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.1 t -107.03 125.66 63.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -96.98 -32.48 11.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 175.93 -177.37 47.62 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.448 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -133.0 165.53 24.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.914 0.388 . . . . 0.0 110.882 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.36 125.56 45.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.095 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.404 HD11 ' CH2' ' A' ' 47' ' ' TRP . 14.4 mt -111.34 108.53 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -100.55 142.83 16.01 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.483 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -144.94 155.47 43.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.911 0.386 . . . . 0.0 110.918 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.469 ' HA3' ' HB3' ' A' ' 71' ' ' ALA . . . 169.08 156.04 10.3 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.449 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.823 HD11 ' CZ ' ' A' ' 94' ' ' TYR . 47.3 mm -78.32 88.36 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.872 0.368 . . . . 0.0 111.133 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.67 -35.32 4.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.47 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 70.9 m -153.96 141.85 13.91 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.71 0.767 . . . . 0.0 110.839 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 0.33 5.78 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.372 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.426 ' O ' ' C ' ' A' ' 71' ' ' ALA . 23.4 m-70 -76.59 -33.72 58.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.469 ' HB3' ' HA3' ' A' ' 65' ' ' GLY . . . -35.32 -61.45 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.09 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -141.4 155.77 45.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.6 m -140.71 134.62 30.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.132 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 86.6 mt -122.31 112.85 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 44.0 mttp -100.37 134.64 43.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.2 m -132.21 176.71 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.69 -179.53 0.88 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -86.54 -15.9 38.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 63.6 mttt -87.13 34.92 0.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.907 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.518 ' O ' ' CZ2' ' A' ' 47' ' ' TRP . 60.2 mm-40 -121.32 115.69 23.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -85.14 -39.4 17.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -145.01 162.3 37.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -141.69 133.88 27.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.933 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 52.7 m -96.82 111.4 23.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.12 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 70.4 mt -91.08 98.24 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.122 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -93.65 176.31 6.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 70.32 44.67 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.853 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 85.8 mt -115.57 171.06 7.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -100.17 122.96 48.55 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.598 0.713 . . . . 0.0 110.866 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 157.34 60.66 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.644 2.23 . . . . 0.0 112.344 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 37.2 t 64.43 47.08 3.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.7 m -155.27 141.34 18.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -79.5 135.71 36.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.823 ' CZ ' HD11 ' A' ' 66' ' ' ILE . 24.9 m-85 -128.14 131.01 48.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 65.5 t -96.53 122.01 47.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.16 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.55 ' N ' HD12 ' A' ' 96' ' ' ILE . 4.0 mp -112.11 135.33 51.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.783 HG22 ' O ' ' A' ' 110' ' ' LEU . 22.7 p -130.31 145.19 51.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 5.3 tp -136.58 136.33 39.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.0 ptpp? -139.85 132.06 28.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -80.94 123.0 27.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 101' ' ' PHE . 9.0 p90 -124.81 162.67 23.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.485 ' ND2' ' HD3' ' A' ' 28' ' ' PRO . 42.6 p-10 -159.2 -175.91 5.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -51.93 -34.65 42.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 52.6 t -65.45 -48.44 82.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.137 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.515 ' N ' HG12 ' A' ' 27' ' ' VAL . . . 173.26 -129.56 1.7 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.512 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -133.03 158.07 43.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.895 0.378 . . . . 0.0 110.876 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -105.07 -167.08 24.05 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.461 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 5.3 mm -85.15 124.32 72.26 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.613 0.72 . . . . 0.0 111.136 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 167.85 23.2 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.668 2.245 . . . . 0.0 112.355 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.783 ' O ' HG22 ' A' ' 97' ' ' THR . 67.2 mt -118.38 176.35 5.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -136.14 125.44 24.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.945 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -134.6 174.51 10.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 71.8 p -138.24 135.32 35.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -145.25 115.04 7.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.098 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 80.1 t -102.01 102.12 13.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 40.8 p -48.22 146.08 2.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 26.6 mtp180 -74.53 158.04 85.51 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.61 0.719 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 119.14 6.14 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.691 2.261 . . . . 0.0 112.374 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -96.08 37.88 1.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.844 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 30.7 p -93.67 83.21 4.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.131 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 47.4 m -157.51 154.6 28.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -91.35 -147.6 20.11 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.453 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -4.69 14.51 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.657 2.238 . . . . 0.0 112.347 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.6 t -58.15 -50.78 72.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.865 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 15.9 t -60.8 -61.07 2.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.84 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 -179.981 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 t -169.56 153.07 4.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 110.834 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.5 p -128.78 170.07 13.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.12 175.0 43.0 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.548 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 t -128.11 154.22 45.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.872 0.368 . . . . 0.0 110.833 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 m -144.51 115.17 7.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.846 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.93 166.18 35.33 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.519 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -34.69 14.07 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.729 2.286 . . . . 0.0 112.303 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 39.42 33.46 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.459 ' O ' HG23 ' A' ' 10' ' ' THR . 11.6 t -96.97 126.95 42.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.158 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -131.22 100.47 5.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 41.1 m95 -121.24 161.47 21.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -90.49 172.68 8.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 81.0 p -104.36 150.34 24.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -124.74 148.41 48.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.072 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -103.82 42.5 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 17' ' ' THR . 12.5 t -113.44 34.36 4.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.41 ' O ' ' CG ' ' A' ' 18' ' ' PHE . 1.2 p90 -147.86 119.08 7.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -73.8 153.15 40.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.8 m -87.26 43.63 1.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.84 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -108.26 45.91 0.99 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.807 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.6 mt -146.4 170.86 15.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.7 81.98 2.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.635 ' O ' HG21 ' A' ' 104' ' ' VAL . 39.2 tt0 -83.55 -34.36 25.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 64.4 p -43.11 -23.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 24' ' ' GLU . 9.5 ptp180 -106.09 145.47 31.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.4 m -82.41 148.93 60.3 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.621 0.724 . . . . 0.0 111.129 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 102.55 1.04 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.715 2.277 . . . . 0.0 112.323 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -56.69 -179.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.556 ' CG2' HD21 ' A' ' 110' ' ' LEU . 0.4 OUTLIER -43.92 133.21 4.1 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.599 0.714 . . . . 0.0 111.157 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 167.18 25.22 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.719 2.279 . . . . 0.0 112.31 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -43.54 -54.12 5.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.5 p -172.73 179.27 2.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.837 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.857 HD23 ' OE1' ' A' ' 112' ' ' GLU . 1.9 tp -146.62 119.53 8.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 21.3 t-80 -110.68 147.99 33.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 23.7 m -138.13 161.1 32.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.431 ' C ' ' HD3' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -140.05 109.61 7.05 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.636 0.731 . . . . 0.0 110.887 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.527 ' HB3' ' HB1' ' A' ' 114' ' ' ALA . 53.4 Cg_endo -69.79 120.11 6.94 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.677 2.251 . . . . 0.0 112.317 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.47 ' O ' ' C ' ' A' ' 40' ' ' VAL . 4.9 mp -115.86 154.09 30.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.95 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.613 HG12 HG23 ' A' ' 41' ' ' THR . 74.8 t -31.95 -75.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.143 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.613 HG23 HG12 ' A' ' 40' ' ' VAL . 17.1 p -113.1 23.34 13.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.158 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.504 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 1.2 p -149.15 -178.96 6.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.504 ' CG1' ' O ' ' A' ' 42' ' ' SER . 22.0 mt -160.6 108.17 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.419 HG23 HD13 ' A' ' 39' ' ' LEU . 96.6 t -75.08 118.55 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.7 t -108.56 102.41 13.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.8 p -109.0 128.33 54.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.823 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.565 ' CZ2' ' O ' ' A' ' 80' ' ' GLN . 41.7 p90 -128.67 -178.72 4.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.6 p -139.77 153.15 69.7 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.525 0.679 . . . . 0.0 111.189 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 157.33 60.75 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.699 2.266 . . . . 0.0 112.326 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 126.55 13.47 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.694 2.263 . . . . 0.0 112.382 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -47.44 -25.62 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -86.4 94.34 9.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 -77.98 -17.7 56.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -54.91 -29.33 55.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 10.7 mt -89.22 137.98 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.156 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.8 t -81.48 133.3 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.126 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.0 t -119.65 130.55 73.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.8 mmp_? -100.72 -28.7 12.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.522 ' C ' ' CE1' ' A' ' 101' ' ' PHE . . . 173.45 177.23 42.53 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -123.92 164.61 18.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.913 0.387 . . . . 0.0 110.897 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.488 ' HB3' ' HG3' ' A' ' 99' ' ' LYS . . . -121.71 116.13 23.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.118 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.1 mt -99.02 143.3 13.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -137.4 145.91 17.7 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.513 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.453 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 5.8 p90 -147.95 158.52 44.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.905 0.383 . . . . 0.0 110.898 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 154.46 147.46 4.68 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.492 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 15.7 mt -69.87 110.04 2.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.855 0.359 . . . . 0.0 111.183 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 98.88 -47.58 1.38 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.8 m -148.0 140.28 14.49 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.622 0.725 . . . . 0.0 110.859 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.52 ' HG3' HG21 ' A' ' 97' ' ' THR . 53.5 Cg_endo -69.81 -23.12 30.95 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.67 2.247 . . . . 0.0 112.315 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -44.71 -25.6 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 64' ' ' TYR . . . -41.33 -71.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -134.04 148.69 51.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 63.3 m -128.94 124.92 36.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.174 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 50.0 mt -111.58 110.44 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.08 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 49.5 mttt -98.07 123.92 42.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 30.9 m -123.13 -176.13 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.166 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -71.85 -177.75 2.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -93.76 -4.05 51.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.7 mtmt -101.39 32.69 3.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.565 ' O ' ' CZ2' ' A' ' 47' ' ' TRP . 46.7 mm-40 -113.64 109.24 18.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -69.99 -42.3 73.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 18.4 p90 -151.1 165.68 33.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -135.84 137.37 41.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.951 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 88.5 m -100.33 114.01 27.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 33.1 mt -95.29 114.58 32.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.14 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -112.41 168.81 9.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 74.61 48.42 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 55.2 mt -119.14 166.94 12.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -89.68 121.82 68.71 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.63 0.729 . . . . 0.0 110.863 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 150.56 68.7 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.393 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.3 t 67.39 48.62 1.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.7 m -152.82 138.96 18.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -79.01 134.36 36.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -130.28 129.85 43.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 77.2 t -88.21 114.58 27.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.099 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 3.0 mp -101.19 130.31 50.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.1 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.52 HG21 ' HG3' ' A' ' 69' ' ' PRO . 31.1 p -129.17 154.94 46.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.558 HD22 ' CB ' ' A' ' 47' ' ' TRP . 4.9 tp -150.37 141.94 23.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.488 ' HG3' ' HB3' ' A' ' 61' ' ' ALA . 3.0 pttt -149.7 148.27 29.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -96.79 137.91 35.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.07 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.522 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 52.8 p90 -131.5 166.45 21.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 39.1 p-10 -151.0 -179.15 7.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -55.28 -14.48 1.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.635 HG21 ' O ' ' A' ' 24' ' ' GLU . 94.8 t -90.7 -49.94 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.149 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 172.16 -160.7 32.29 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.459 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -110.95 176.98 4.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.892 0.377 . . . . 0.0 110.872 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -122.44 -144.53 6.76 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.521 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.5 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -105.23 112.93 64.98 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.59 0.709 . . . . 0.0 111.19 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 167.07 25.44 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.676 2.25 . . . . 0.0 112.362 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.556 HD21 ' CG2' ' A' ' 30' ' ' VAL . 6.3 mt -108.75 167.13 10.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -118.67 132.94 56.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.857 ' OE1' HD23 ' A' ' 34' ' ' LEU . 2.3 mp0 -132.67 172.98 11.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 62.1 p -140.72 135.63 31.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.527 ' HB1' ' HB3' ' A' ' 38' ' ' PRO . . . -147.01 126.34 13.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 47.0 t -110.07 101.29 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.168 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 33.4 p -51.31 149.02 4.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 44.6 mtt180 -78.18 153.42 79.63 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.608 0.718 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 119' ' ' HIS . 53.6 Cg_endo -69.73 96.58 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.678 2.252 . . . . 0.0 112.317 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.431 ' C ' ' O ' ' A' ' 118' ' ' PRO . 5.3 t-80 -34.76 108.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.91 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 10.1 t -119.94 161.18 21.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 12.7 t -117.2 128.0 54.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.813 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 157.11 73.79 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.508 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 139.54 40.51 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.685 2.257 . . . . 0.0 112.352 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 3.8 m -98.67 97.59 8.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.851 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 89.3 p -45.43 -49.86 12.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.848 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 -179.96 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.2 t -153.84 151.94 30.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.843 0.354 . . . . 0.0 110.856 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -146.53 173.45 12.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.55 101.67 0.17 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.478 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -103.3 -48.3 4.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.851 0.358 . . . . 0.0 110.853 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.5 m -51.53 141.66 15.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.58 64.44 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.535 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 158.77 55.8 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.668 2.245 . . . . 0.0 112.326 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.15 41.05 0.95 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 61.4 m -134.4 149.37 50.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.114 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -51.03 173.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 14.7 m95 -83.69 114.44 21.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.2 mp -98.06 119.82 37.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 15' ' ' ALA . 97.4 p -103.09 72.17 1.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 14' ' ' SER . . . 35.32 47.13 0.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -102.65 82.79 2.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 73.0 p -126.4 146.99 49.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.421 ' CD1' ' N ' ' A' ' 19' ' ' GLU . 8.1 p90 -101.11 -48.92 4.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.421 ' N ' ' CD1' ' A' ' 18' ' ' PHE . 6.7 pt-20 -137.94 121.85 17.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.4 p -132.87 -55.16 0.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -84.76 -35.58 22.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.815 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 16.9 mt -45.86 136.41 6.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -93.45 103.5 15.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.817 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.798 ' O ' HG21 ' A' ' 104' ' ' VAL . 53.1 tt0 -105.61 -34.55 7.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.6 t -38.82 -26.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.131 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 24' ' ' GLU . 2.4 ptm85 -108.27 159.35 16.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.498 HG12 ' HB ' ' A' ' 104' ' ' VAL . 8.1 m -91.65 146.31 32.89 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.627 0.727 . . . . 0.0 111.109 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.417 ' HG2' ' C ' ' A' ' 100' ' ' ALA . 53.6 Cg_endo -69.8 123.9 10.54 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.644 2.229 . . . . 0.0 112.354 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -75.94 -177.46 3.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.517 ' CG2' HD21 ' A' ' 110' ' ' LEU . 0.8 OUTLIER -49.12 131.53 16.05 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.645 0.736 . . . . 0.0 111.138 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.685 ' HG2' HD11 ' A' ' 110' ' ' LEU . 53.7 Cg_endo -69.79 171.23 14.87 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.659 2.24 . . . . 0.0 112.329 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.2 p -45.66 -52.3 10.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 t -174.59 -176.01 1.0 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.512 HD22 ' HB3' ' A' ' 98' ' ' LEU . 2.5 tp -149.46 114.4 5.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -98.13 143.3 28.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.824 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.2 m -136.02 145.46 31.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.171 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -130.35 111.79 16.69 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.583 0.706 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 122.72 9.39 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.645 2.23 . . . . 0.0 112.332 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.481 ' O ' ' C ' ' A' ' 40' ' ' VAL . 5.2 mp -116.63 154.53 30.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.616 HG12 HG23 ' A' ' 41' ' ' THR . 78.4 t -30.98 -73.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.616 HG23 HG12 ' A' ' 40' ' ' VAL . 21.1 p -116.27 24.5 11.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.129 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.47 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 1.9 p -149.74 -177.8 6.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.47 ' CG1' ' O ' ' A' ' 42' ' ' SER . 20.9 mt -159.54 108.44 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.151 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 83.0 t -73.95 108.9 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.152 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 81.3 t -100.61 100.74 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.6 p -108.87 132.2 54.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.612 ' CB ' HD22 ' A' ' 98' ' ' LEU . 39.4 p90 -136.72 177.99 7.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.964 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -139.77 157.93 68.85 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.606 0.717 . . . . 0.0 111.113 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 157.86 58.93 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.673 2.248 . . . . 0.0 112.362 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.449 ' O ' ' N ' ' A' ' 52' ' ' ASN . 53.4 Cg_endo -69.75 133.79 26.43 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.719 2.279 . . . . 0.0 112.324 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 50' ' ' PRO . 34.2 mt-10 -37.23 -31.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.828 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 50' ' ' PRO . 31.0 t-20 -92.14 86.91 5.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -76.9 -19.39 57.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -51.28 -17.29 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 11.9 mt -91.8 144.39 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 77.7 t -82.73 139.53 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.48 HG12 ' H ' ' A' ' 59' ' ' GLY . 46.4 t -133.51 118.62 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.115 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -82.44 -10.35 59.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.48 ' H ' HG12 ' A' ' 57' ' ' VAL . . . 151.24 177.61 25.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.521 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -124.99 157.19 36.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.848 0.356 . . . . 0.0 110.981 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -113.09 129.37 56.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.101 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 17.1 mt -111.06 114.18 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.099 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -107.04 123.9 7.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.493 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -131.15 154.46 48.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.968 0.413 . . . . 0.0 110.908 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.56 ' HA3' ' HB3' ' A' ' 71' ' ' ALA . . . 165.42 145.9 4.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.514 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.478 HG13 ' CE2' ' A' ' 94' ' ' TYR . 58.8 mt -69.74 99.77 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.845 0.355 . . . . 0.0 111.139 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.36 -45.02 1.36 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.498 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 80.2 p -134.57 130.86 20.06 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.63 0.728 . . . . 0.0 110.855 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -18.95 36.79 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.699 2.266 . . . . 0.0 112.342 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -70.76 -21.56 62.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.56 ' HB3' ' HA3' ' A' ' 65' ' ' GLY . . . -39.31 -48.62 1.88 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.099 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -140.62 156.92 46.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.6 m -141.78 143.07 33.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 88.9 mt -138.6 109.17 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.155 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.3 mttp -97.09 120.49 37.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 29.4 m -126.58 157.66 37.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.126 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -49.06 177.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.514 ' CE1' ' HG2' ' A' ' 79' ' ' LYS . 30.1 p90 -79.64 -49.64 11.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.961 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.514 ' HG2' ' CE1' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -39.44 -30.88 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.947 179.868 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -60.87 124.13 19.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.7 ttm-85 -101.55 -27.46 13.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.837 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.495 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 9.4 p90 -151.64 164.92 35.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -140.8 137.82 33.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.985 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 83.4 m -97.99 97.54 9.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.552 ' CG2' HD11 ' A' ' 88' ' ' LEU . 61.8 mt -73.75 118.38 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -114.07 176.39 5.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 64.98 52.65 1.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.552 HD11 ' CG2' ' A' ' 85' ' ' ILE . 52.3 mt -123.23 169.15 11.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -98.4 127.04 37.38 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.572 0.701 . . . . 0.0 110.843 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 148.04 63.86 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.668 2.245 . . . . 0.0 112.333 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.3 t 67.32 45.02 1.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 t -143.75 142.34 30.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -83.7 133.79 34.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.818 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.478 ' CE2' HG13 ' A' ' 66' ' ' ILE . 24.1 m-85 -126.77 144.05 51.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 18.3 t -107.44 104.95 17.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.094 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.505 ' N ' HD12 ' A' ' 96' ' ' ILE . 2.3 mp -93.16 139.14 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.804 HG22 ' O ' ' A' ' 110' ' ' LEU . 7.8 p -135.84 133.81 38.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.612 HD22 ' CB ' ' A' ' 47' ' ' TRP . 4.8 tp -125.89 140.96 52.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.6 ptpt -151.33 140.21 20.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.417 ' C ' ' HG2' ' A' ' 28' ' ' PRO . . . -84.51 133.49 34.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.093 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -137.78 140.3 40.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.897 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 45.3 p-10 -126.19 -175.38 3.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -53.39 -19.08 3.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.798 HG21 ' O ' ' A' ' 24' ' ' GLU . 3.3 t -87.92 -49.55 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 166.74 -166.87 39.31 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.443 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -111.66 160.44 17.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.92 0.391 . . . . 0.0 110.889 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -101.55 -126.42 5.83 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.49 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.539 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -106.58 121.46 45.11 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.632 0.729 . . . . 0.0 111.159 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 169.99 17.66 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.679 2.252 . . . . 0.0 112.361 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.804 ' O ' HG22 ' A' ' 97' ' ' THR . 10.9 mt -109.98 -179.49 3.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -137.9 124.63 21.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -137.47 172.36 13.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 25.7 p -141.48 140.64 33.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -148.89 111.92 4.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.062 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 116' ' ' THR . 36.4 t -92.98 95.99 5.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 115' ' ' VAL . 2.5 p -38.24 152.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 71.6 mtt-85 -84.57 154.42 62.14 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.628 0.727 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 136.68 33.75 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.404 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -100.79 -34.2 9.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 88.8 m -92.59 -70.24 0.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.181 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.6 t -54.86 153.94 5.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 119.49 83.72 0.84 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.511 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 174.95 8.8 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.662 2.241 . . . . 0.0 112.289 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 66.7 m -52.53 112.75 0.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 81.1 p -51.86 137.94 25.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.51 -179.957 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.7 p -173.55 162.91 4.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.849 0.357 . . . . 0.0 110.913 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -158.6 171.51 19.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.31 130.27 8.28 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.46 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 t -124.56 104.8 8.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.853 0.358 . . . . 0.0 110.825 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.3 p -131.04 102.86 6.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.847 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.5 117.69 2.18 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.521 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 0.01 6.3 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.699 2.266 . . . . 0.0 112.329 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.86 88.13 6.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.078 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 33.6 m -91.23 127.2 36.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.158 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -39.79 -47.96 2.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 5.3 m0 -120.46 92.65 3.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.4 mp -48.07 151.64 0.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.1 p -85.83 41.13 0.89 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -99.03 157.82 16.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.103 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -121.42 174.16 6.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.6 p -138.5 121.64 16.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.158 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.449 ' CG ' ' O ' ' A' ' 18' ' ' PHE . 2.2 p90 -166.57 121.56 1.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.438 ' O ' HD23 ' A' ' 22' ' ' LEU . 6.3 tp10 -114.99 143.62 44.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 64.5 p 45.96 31.94 1.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.2 t70 68.16 51.4 0.72 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.835 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.438 HD23 ' O ' ' A' ' 19' ' ' GLU . 0.4 OUTLIER -113.96 154.28 27.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -102.26 114.7 29.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -130.08 38.17 3.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.2 p -111.84 -20.16 12.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.482 ' CA ' HG11 ' A' ' 104' ' ' VAL . 2.9 ptm85 -125.39 161.12 27.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 32.8 m -81.19 146.98 59.61 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.646 0.736 . . . . 0.0 111.149 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 102.9 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.674 2.249 . . . . 0.0 112.33 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 30' ' ' VAL . 2.9 pt-20 -56.39 167.55 0.67 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.622 HG23 ' HD2' ' A' ' 31' ' ' PRO . 3.9 p -34.12 137.61 0.32 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.619 0.723 . . . . 0.0 111.137 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.622 ' HD2' HG23 ' A' ' 30' ' ' VAL . 53.3 Cg_endo -69.77 170.31 16.9 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.679 2.253 . . . . 0.0 112.346 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.1 t -46.63 -47.22 20.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -174.46 174.74 2.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.888 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.528 HD22 ' HB3' ' A' ' 98' ' ' LEU . 5.7 tp -148.78 112.17 4.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -103.27 147.84 26.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 23.7 m -134.7 145.26 32.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.088 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.401 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 26.5 ttm180 -129.94 109.8 16.96 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.563 0.697 . . . . 0.0 110.864 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 37' ' ' ARG . 53.7 Cg_endo -69.77 127.36 14.48 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.701 2.267 . . . . 0.0 112.295 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.506 HD13 HG23 ' A' ' 44' ' ' VAL . 4.5 mp -118.19 154.41 32.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.679 HG12 HG23 ' A' ' 41' ' ' THR . 78.1 t -30.67 -74.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.127 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.679 HG23 HG12 ' A' ' 40' ' ' VAL . 65.8 p -116.59 26.52 9.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.438 ' C ' HG13 ' A' ' 43' ' ' ILE . 2.2 p -151.61 -177.83 6.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.438 HG13 ' C ' ' A' ' 42' ' ' SER . 61.8 mt -157.19 118.98 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.114 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.506 HG23 HD13 ' A' ' 39' ' ' LEU . 87.6 t -89.17 105.33 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 67.9 t -97.97 103.26 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.6 t -107.38 126.99 53.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.65 ' CZ3' HD11 ' A' ' 62' ' ' ILE . 45.1 p90 -126.14 168.47 13.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 68.4 p -129.85 152.43 79.87 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.604 0.716 . . . . 0.0 111.109 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 156.53 63.05 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.663 2.242 . . . . 0.0 112.359 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 51' ' ' GLU . 53.7 Cg_endo -69.81 125.07 11.7 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.698 2.266 . . . . 0.0 112.328 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 50' ' ' PRO . 4.9 pt-20 -37.37 -38.51 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -78.11 86.11 4.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 54' ' ' ASN . 44.7 mm-40 -64.54 -36.43 84.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 53' ' ' GLN . 24.1 m120 -38.16 -39.32 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 68.8 mt -68.59 126.61 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.098 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.0 t -69.98 108.92 2.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.12 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.7 t -106.29 105.89 19.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -79.06 -37.8 38.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -178.01 -172.86 42.9 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.469 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -133.63 174.09 10.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.895 0.378 . . . . 0.0 110.893 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.41 ' HB3' ' CG ' ' A' ' 99' ' ' LYS . . . -131.93 116.63 17.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.082 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.65 HD11 ' CZ3' ' A' ' 47' ' ' TRP . 47.3 mt -95.49 139.01 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.08 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -130.74 134.06 7.59 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.45 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.429 ' C ' ' HA ' ' A' ' 69' ' ' PRO . 21.9 p90 -142.09 171.57 13.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.915 0.388 . . . . 0.0 110.916 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 144.51 128.54 2.11 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.463 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.471 HG13 ' CE1' ' A' ' 94' ' ' TYR . 40.3 mt -48.57 105.64 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.885 0.374 . . . . 0.0 111.108 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.58 -52.65 0.76 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.505 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.9 m -143.65 143.6 24.19 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.654 0.74 . . . . 0.0 110.902 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.45 ' HG3' HG21 ' A' ' 97' ' ' THR . 53.9 Cg_endo -69.74 -40.06 5.8 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.703 2.269 . . . . 0.0 112.329 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.419 ' C ' ' O ' ' A' ' 69' ' ' PRO . 0.9 OUTLIER -36.86 -36.05 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.401 ' N ' ' CD2' ' A' ' 70' ' ' HIS . . . -39.57 -50.47 2.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -142.47 152.29 42.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 89.7 m -142.61 127.09 17.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 32.9 mt -117.57 119.44 61.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.158 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.1 mttt -102.64 132.64 48.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 26.8 m -137.3 150.41 26.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.177 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -53.11 161.93 0.76 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.519 ' CE2' ' HG3' ' A' ' 79' ' ' LYS . 53.9 p90 -59.11 -45.94 89.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.519 ' HG3' ' CE2' ' A' ' 78' ' ' TYR . 32.6 mtmt -40.36 -44.5 1.97 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.412 ' HA ' ' NE2' ' A' ' 80' ' ' GLN . 12.6 mm-40 -55.44 114.87 2.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -85.01 -36.95 20.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -144.67 167.61 22.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -141.37 136.02 31.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.946 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 89.7 m -103.33 108.99 20.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 44.4 mt -87.31 109.6 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -99.95 -176.44 3.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 63.09 45.61 5.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 93.6 mt -118.04 155.89 29.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.99 129.13 47.26 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.578 0.704 . . . . 0.0 110.883 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 150.33 67.97 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.703 2.269 . . . . 0.0 112.336 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.0 t 69.17 52.82 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.546 ' O ' HG13 ' A' ' 115' ' ' VAL . 5.0 m -149.78 155.33 39.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.827 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -93.8 128.86 40.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.471 ' CE1' HG13 ' A' ' 66' ' ' ILE . 49.5 m-85 -126.07 125.19 42.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 93.2 t -93.44 103.55 14.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.127 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.466 ' N ' HD12 ' A' ' 96' ' ' ILE . 4.5 mp -92.29 135.63 26.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.086 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.585 HG22 ' O ' ' A' ' 110' ' ' LEU . 72.0 p -129.22 162.95 26.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.179 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.528 ' HB3' HD22 ' A' ' 34' ' ' LEU . 8.9 tp -150.91 131.19 13.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.41 ' CG ' ' HB3' ' A' ' 61' ' ' ALA . 10.2 ptpp? -137.48 131.05 31.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.06 139.2 38.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.105 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.492 ' CD1' ' C ' ' A' ' 101' ' ' PHE . 3.2 p90 -135.89 164.17 28.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 48.0 p-10 -167.86 179.22 4.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -46.67 -35.29 5.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.482 HG11 ' CA ' ' A' ' 26' ' ' ARG . 39.2 t -69.02 -49.24 64.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.155 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 165.28 -151.47 20.29 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.515 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -117.15 153.08 33.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.893 0.378 . . . . 0.0 110.849 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -99.91 -147.54 21.51 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.468 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.528 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -98.37 127.07 37.36 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.669 0.747 . . . . 0.0 111.121 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 163.55 37.81 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.681 2.254 . . . . 0.0 112.372 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.621 HD21 ' CG2' ' A' ' 30' ' ' VAL . 12.0 mt -109.14 164.97 11.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -125.6 120.19 30.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -129.31 176.82 7.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 72.9 p -140.85 139.19 34.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -161.76 119.87 2.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.112 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.546 HG13 ' O ' ' A' ' 92' ' ' SER . 40.8 t -107.14 111.38 35.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.127 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 38.0 p -45.62 147.86 0.82 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.192 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 117' ' ' ARG . 14.0 mtp-105 -74.7 154.06 87.31 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.597 0.713 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 131.84 22.15 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.707 2.271 . . . . 0.0 112.358 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.418 ' HB2' ' CG1' ' A' ' 40' ' ' VAL . 26.9 t60 -107.74 105.16 14.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 82.3 p -86.64 169.88 12.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 81.3 p -116.15 65.04 0.7 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -162.72 163.59 35.31 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.437 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 165.91 29.41 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.66 2.24 . . . . 0.0 112.343 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 3.6 m -91.82 170.05 10.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.854 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 45.5 p -55.03 121.7 9.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.514 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -172.48 153.77 2.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.911 0.386 . . . . 0.0 110.86 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -170.68 176.45 4.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.8 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.01 161.59 25.97 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.503 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.7 p -171.31 137.5 1.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.868 0.366 . . . . 0.0 110.883 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -164.43 149.35 9.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.7 88.4 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.517 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 170.28 16.94 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.678 2.252 . . . . 0.0 112.337 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -157.22 128.37 6.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.093 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.7 t -148.35 123.46 10.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -152.68 158.75 42.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 34.3 p-90 -64.69 116.98 6.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.484 ' H ' HD23 ' A' ' 13' ' ' LEU . 2.2 pt? -123.15 133.07 54.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.943 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 13' ' ' LEU . 80.7 p 35.0 39.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.829 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -90.73 145.83 24.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.09 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -78.41 158.88 28.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.608 HG22 ' HG2' ' A' ' 19' ' ' GLU . 16.9 m -158.87 109.15 2.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -115.21 58.78 0.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.608 ' HG2' HG22 ' A' ' 17' ' ' THR . 9.4 pt-20 -132.16 41.49 3.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.4 p -77.8 -37.99 47.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -127.04 68.55 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.811 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.543 HD12 ' HA ' ' A' ' 19' ' ' GLU . 95.8 mt -144.3 154.95 43.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -88.61 115.18 25.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -129.56 36.88 4.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.2 p -108.94 -22.08 12.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.501 ' CA ' HG11 ' A' ' 104' ' ' VAL . 15.3 ptp180 -120.48 162.89 18.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.3 m -81.52 150.7 67.39 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.592 0.711 . . . . 0.0 111.145 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.481 ' HA ' HG21 ' A' ' 55' ' ' ILE . 53.6 Cg_endo -69.76 103.35 1.15 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.668 2.245 . . . . 0.0 112.325 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -54.2 164.29 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.668 HG23 ' HD2' ' A' ' 31' ' ' PRO . 5.3 p -38.34 138.78 0.7 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.662 0.744 . . . . 0.0 111.098 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.668 ' HD2' HG23 ' A' ' 30' ' ' VAL . 53.4 Cg_endo -69.79 165.7 30.12 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.662 2.241 . . . . 0.0 112.346 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.5 t -45.66 -50.35 13.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 82.0 p -172.79 -175.48 1.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.8 tp -155.18 116.54 4.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -100.63 150.25 22.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.6 m -135.58 139.96 45.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.558 ' HG3' HD12 ' A' ' 39' ' ' LEU . 10.4 tpp180 -126.28 107.57 24.23 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.605 0.717 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 127.56 14.74 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.711 2.274 . . . . 0.0 112.337 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.667 ' CD1' HG23 ' A' ' 44' ' ' VAL . 4.1 mp -123.35 154.87 38.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.526 HG12 HG23 ' A' ' 41' ' ' THR . 96.5 t -29.63 -75.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.141 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.526 HG23 HG12 ' A' ' 40' ' ' VAL . 12.7 p -116.77 26.68 9.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.14 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.509 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 5.3 p -151.75 -178.14 6.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.509 ' CG1' ' O ' ' A' ' 42' ' ' SER . 38.9 mt -160.72 108.97 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.078 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.667 HG23 ' CD1' ' A' ' 39' ' ' LEU . 3.9 t -75.2 91.75 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.1 t -82.46 100.54 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.147 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.473 ' HA ' ' CB ' ' A' ' 82' ' ' TYR . 1.3 m -104.82 134.9 47.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.55 ' CB ' HD22 ' A' ' 98' ' ' LEU . 48.8 p90 -129.53 -175.31 3.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.0 p -142.15 155.12 65.2 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.574 0.702 . . . . 0.0 111.118 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 161.39 46.1 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.7 2.267 . . . . 0.0 112.362 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 51' ' ' GLU . 54.2 Cg_endo -69.74 126.99 13.98 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.688 2.259 . . . . 0.0 112.37 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 50' ' ' PRO . 1.8 tt0 -35.5 -43.56 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -84.4 117.21 23.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 54' ' ' ASN . 14.1 mm-40 -83.58 -40.32 19.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 53' ' ' GLN . 35.1 m120 -36.83 -40.86 0.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.481 HG21 ' HA ' ' A' ' 28' ' ' PRO . 77.1 mt -66.08 131.92 31.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 94.9 t -77.62 131.71 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.147 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.483 HG11 ' CZ ' ' A' ' 60' ' ' TYR . 93.5 t -125.09 116.23 46.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.086 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.477 ' CZ ' ' OD1' ' A' ' 103' ' ' ASN . 7.2 mmt85 -82.62 -35.56 26.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 177.34 -176.25 47.97 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.483 ' CZ ' HG11 ' A' ' 57' ' ' VAL . 5.4 m-85 -132.54 141.8 48.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.874 0.369 . . . . 0.0 110.92 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -106.45 129.34 54.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.467 HD11 ' CZ3' ' A' ' 47' ' ' TRP . 20.4 mt -104.47 148.28 9.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.136 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -140.24 123.46 2.42 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.496 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.413 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 5.9 p90 -127.53 166.12 18.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.972 0.415 . . . . 0.0 110.9 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 156.4 126.98 0.98 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.565 HG13 ' CE2' ' A' ' 94' ' ' TYR . 20.4 mt -53.59 107.88 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.874 0.369 . . . . 0.0 111.109 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.67 -50.3 2.9 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.505 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 21.0 p -126.79 124.62 24.13 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.726 0.774 . . . . 0.0 110.865 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -9.49 26.23 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.673 2.249 . . . . 0.0 112.342 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 40.5 m-70 -82.91 43.13 0.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 64' ' ' TYR . . . -107.37 -45.74 4.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 21.1 mp0 -140.48 151.04 44.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.7 m -133.86 123.96 25.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 77.9 mt -121.42 107.96 21.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 55.3 mttm -98.83 118.62 35.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.926 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 34.6 m -118.28 176.53 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -68.59 173.35 5.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -76.74 -21.38 55.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.0 mttp -82.79 37.38 0.53 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -120.12 113.09 19.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.979 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -77.71 -39.38 44.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.83 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.473 ' CB ' ' HA ' ' A' ' 46' ' ' SER . 45.3 p90 -155.28 171.21 20.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -136.66 140.57 42.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.927 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 93.4 m -100.78 96.82 7.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.109 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 71.8 mt -77.53 130.9 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.157 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -126.01 -177.05 3.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.465 ' N ' ' ND2' ' A' ' 87' ' ' ASN . 0.4 OUTLIER 74.58 31.91 0.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.546 HD22 ' CE2' ' A' ' 94' ' ' TYR . 52.7 mt -110.62 176.89 4.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.65 139.04 29.27 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.59 0.71 . . . . 0.0 110.911 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 155.95 64.71 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.679 2.253 . . . . 0.0 112.37 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.7 t 67.31 50.48 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.81 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 23.2 t -152.36 153.6 33.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.833 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 7.6 t-160 -99.78 130.76 46.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.565 ' CE2' HG13 ' A' ' 66' ' ' ILE . 50.9 m-85 -123.83 147.65 47.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.96 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 96.1 t -113.66 104.22 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.158 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.447 ' N ' HD12 ' A' ' 96' ' ' ILE . 4.7 mp -93.31 139.06 18.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.624 HG22 ' O ' ' A' ' 110' ' ' LEU . 47.6 p -133.52 154.23 51.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.55 HD22 ' CB ' ' A' ' 47' ' ' TRP . 4.8 tp -143.13 136.05 27.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.946 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -142.73 135.54 28.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -84.57 132.53 34.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.087 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 45.6 p90 -133.48 133.09 41.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -131.67 -178.86 5.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.477 ' OD1' ' CZ ' ' A' ' 58' ' ' ARG . 77.5 m-20 -48.79 -40.57 29.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.501 HG11 ' CA ' ' A' ' 26' ' ' ARG . 35.9 t -60.96 -49.53 84.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 167.7 -158.15 30.84 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.492 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -106.31 157.29 17.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.36 . . . . 0.0 110.863 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -106.77 -145.23 12.31 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.451 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.55 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -104.83 125.34 34.07 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.625 0.726 . . . . 0.0 111.135 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 170.21 17.11 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.649 2.233 . . . . 0.0 112.357 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.624 ' O ' HG22 ' A' ' 97' ' ' THR . 53.9 mt -116.92 166.59 11.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.966 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -124.96 126.48 45.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.967 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -134.1 175.34 9.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 31.9 p -141.92 134.17 27.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -149.74 113.93 5.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.096 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 96.1 t -98.12 107.33 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 47.8 p -44.92 145.57 0.94 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.158 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 32.2 mtt180 -61.32 157.65 43.16 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.594 0.712 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.587 ' HG2' HG22 ' A' ' 120' ' ' THR . 53.5 Cg_endo -69.8 -2.72 10.68 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.676 2.251 . . . . 0.0 112.375 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.511 ' HB2' HG13 ' A' ' 40' ' ' VAL . 12.4 t60 51.24 46.6 26.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.635 ' O ' HG23 ' A' ' 120' ' ' THR . 10.0 t -117.93 103.2 9.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 63.5 p -120.09 136.64 54.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -119.89 -95.79 1.57 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 114.33 3.66 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.708 2.272 . . . . 0.0 112.336 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 32.2 t -59.85 -43.54 94.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.815 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 68.1 m -136.58 163.72 29.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.832 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.499 180.0 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.7 p -128.97 -31.07 2.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.873 0.368 . . . . 0.0 110.906 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.7 m 41.1 50.8 3.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.17 163.31 24.86 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.486 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.0 t -174.25 164.9 4.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.898 0.38 . . . . 0.0 110.884 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.7 t -136.33 179.17 6.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.91 84.08 0.19 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.45 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -179.96 3.28 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.654 2.236 . . . . 0.0 112.357 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.6 169.23 18.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.3 t -174.78 142.46 0.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.136 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -94.21 117.21 29.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 9.7 p90 -104.37 42.83 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.1 mt -85.03 29.47 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.3 m -81.68 41.92 0.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.831 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -94.2 50.47 1.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -125.95 46.53 2.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.934 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.1 p -146.57 172.46 13.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.181 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -125.58 171.31 10.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -110.14 161.54 15.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.6 t -88.47 44.53 1.21 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.413 ' O ' ' CG ' ' A' ' 21' ' ' ASP . 3.9 p-10 -112.45 42.72 1.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -94.22 172.62 8.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -122.42 92.28 3.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.667 ' O ' HG21 ' A' ' 104' ' ' VAL . 50.5 tt0 -94.14 -41.46 9.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 24' ' ' GLU . 49.4 p -37.58 -29.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.13 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 24' ' ' GLU . 4.0 ptp180 -103.3 143.12 33.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.829 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.5 m -82.37 147.03 55.53 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.566 0.698 . . . . 0.0 111.141 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 102.22 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.634 2.222 . . . . 0.0 112.336 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -52.15 -177.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.66 HG23 ' HD2' ' A' ' 31' ' ' PRO . 4.8 p -48.54 138.4 11.72 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.63 0.728 . . . . 0.0 111.085 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.66 ' HD2' HG23 ' A' ' 30' ' ' VAL . 53.9 Cg_endo -69.8 173.76 10.53 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.637 2.225 . . . . 0.0 112.367 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.6 p -57.3 -42.73 82.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.9 p -174.21 -176.12 1.1 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 tp -153.67 123.58 6.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.939 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.547 ' C ' ' CD2' ' A' ' 35' ' ' HIS . 0.4 OUTLIER -107.34 155.36 20.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 179.892 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.569 HG12 HG22 ' A' ' 45' ' ' VAL . 2.3 m -151.81 125.03 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.4 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 4.3 mmt180 -109.27 106.53 58.79 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.611 0.72 . . . . 0.0 110.828 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.648 ' HB3' ' HB1' ' A' ' 114' ' ' ALA . 53.2 Cg_endo -69.84 118.52 5.73 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.672 2.248 . . . . 0.0 112.344 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.533 HD13 HG23 ' A' ' 44' ' ' VAL . 6.5 mp -116.57 154.72 29.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.494 ' C ' ' O ' ' A' ' 39' ' ' LEU . 71.1 t -30.26 -73.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.083 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.426 HG23 HG12 ' A' ' 40' ' ' VAL . 10.5 p -116.56 25.19 10.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.126 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.481 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 0.8 OUTLIER -147.97 177.15 9.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.862 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.481 ' CG1' ' O ' ' A' ' 42' ' ' SER . 20.3 mt -160.03 105.02 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.123 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.533 HG23 HD13 ' A' ' 39' ' ' LEU . 2.1 t -73.38 94.36 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.079 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.569 HG22 HG12 ' A' ' 36' ' ' VAL . 74.9 t -87.08 99.95 9.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.437 ' HA ' ' CB ' ' A' ' 82' ' ' TYR . 8.5 t -106.51 137.43 44.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.825 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.609 ' CB ' HD22 ' A' ' 98' ' ' LEU . 49.0 p90 -133.28 -175.65 3.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -144.76 159.17 51.53 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.634 0.73 . . . . 0.0 111.134 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 157.72 59.38 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.68 2.253 . . . . 0.0 112.315 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 136.51 33.16 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.63 2.22 . . . . 0.0 112.366 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -41.83 -44.21 3.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -73.59 108.71 6.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -95.52 38.03 1.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.513 ' C ' ' ND2' ' A' ' 54' ' ' ASN . 0.1 OUTLIER -115.93 -25.25 7.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 8.0 mt -83.54 146.91 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 83.8 t -83.35 126.56 40.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.143 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 56.7 t -114.35 125.05 71.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.101 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -96.97 -21.03 17.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 162.12 -177.26 38.38 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.495 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.442 ' CD1' ' N ' ' A' ' 60' ' ' TYR . 0.6 OUTLIER -133.76 146.28 50.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.917 0.389 . . . . 0.0 110.923 -179.795 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -105.6 132.0 52.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.1 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 14.9 mt -106.67 129.38 60.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -116.51 123.3 5.79 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.5 ' CZ ' ' CB ' ' A' ' 72' ' ' GLN . 10.4 p90 -134.21 150.34 51.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.981 0.419 . . . . 0.0 110.905 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.407 ' HA3' ' HB3' ' A' ' 71' ' ' ALA . . . 166.56 153.68 7.94 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.495 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.672 HD11 ' CE1' ' A' ' 94' ' ' TYR . 17.9 mm -71.77 92.95 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.849 0.357 . . . . 0.0 111.123 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.81 -41.42 2.23 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.503 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.3 m -148.61 141.98 15.82 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.638 0.732 . . . . 0.0 110.894 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.635 ' HG3' HG21 ' A' ' 97' ' ' THR . 53.3 Cg_endo -69.78 0.55 5.5 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.636 2.224 . . . . 0.0 112.34 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.431 ' O ' ' C ' ' A' ' 71' ' ' ALA . 13.0 m170 -72.54 -36.61 68.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.868 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 70' ' ' HIS . . . -34.3 -58.43 0.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.059 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.5 ' CB ' ' CZ ' ' A' ' 64' ' ' TYR . 19.2 mt-30 -134.67 153.64 51.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 89.9 m -141.56 127.33 19.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 69.8 mt -132.14 111.22 17.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.3 pttp -111.37 127.7 55.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.6 m -111.5 -178.95 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -68.92 -173.93 0.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -84.12 -17.18 40.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.1 mmtt -88.52 38.77 0.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.912 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.427 ' O ' ' CZ2' ' A' ' 47' ' ' TRP . 45.7 mm-40 -126.76 111.03 13.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -75.12 -38.84 60.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.452 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 26.5 p90 -153.01 176.62 11.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.927 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -142.06 133.79 27.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.514 HG22 ' HG3' ' A' ' 86' ' ' GLU . 55.2 m -95.67 96.91 9.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.17 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.445 ' CG2' HD11 ' A' ' 88' ' ' LEU . 56.7 mt -79.4 97.63 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.153 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.514 ' HG3' HG22 ' A' ' 84' ' ' THR . 13.4 mt-10 -99.74 170.69 8.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 72.68 44.71 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.445 HD11 ' CG2' ' A' ' 85' ' ' ILE . 56.0 mt -112.69 162.65 15.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -85.37 116.76 66.87 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.576 0.703 . . . . 0.0 110.878 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.483 ' CB ' ' HB2' ' A' ' 119' ' ' HIS . 53.8 Cg_endo -69.77 156.32 63.63 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.698 2.265 . . . . 0.0 112.337 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.9 t 66.88 54.75 0.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.1 p -166.07 147.79 6.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -83.25 140.59 32.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.672 ' CE1' HD11 ' A' ' 66' ' ' ILE . 12.5 m-85 -131.26 134.04 46.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 88.0 t -98.42 109.6 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.17 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.418 ' N ' HD12 ' A' ' 96' ' ' ILE . 3.5 mp -96.04 138.93 20.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.642 HG22 ' O ' ' A' ' 110' ' ' LEU . 41.3 p -135.89 134.03 38.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.609 HD22 ' CB ' ' A' ' 47' ' ' TRP . 5.5 tp -124.65 141.52 52.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -150.88 140.21 21.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.27 131.94 35.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -134.07 142.97 47.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 36.8 p-10 -128.61 -174.98 3.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -50.39 -27.33 6.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.667 HG21 ' O ' ' A' ' 24' ' ' GLU . 98.1 t -79.77 -50.04 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.096 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 164.62 -166.65 38.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.517 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -107.26 166.06 10.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.865 0.364 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -109.09 -124.88 5.02 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.491 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.493 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -110.26 121.06 42.64 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.604 0.716 . . . . 0.0 111.121 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 171.18 14.98 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.707 2.272 . . . . 0.0 112.352 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.642 ' O ' HG22 ' A' ' 97' ' ' THR . 84.9 mt -110.34 178.13 4.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -136.33 129.23 31.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -139.68 178.25 7.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 60.6 p -140.48 142.29 35.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.648 ' HB1' ' HB3' ' A' ' 38' ' ' PRO . . . -156.84 117.58 3.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 99.0 t -100.14 102.3 13.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 81.9 p -46.66 132.54 10.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.41 154.67 22.15 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.606 0.717 . . . . 0.0 110.859 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 111.62 2.86 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.691 2.261 . . . . 0.0 112.34 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.483 ' HB2' ' CB ' ' A' ' 90' ' ' PRO . 26.4 t60 -73.04 -61.59 1.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 121' ' ' SER . 68.1 p -91.29 37.53 0.95 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 120' ' ' THR . 47.4 t -34.61 -48.97 0.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.819 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -165.8 172.62 41.29 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.47 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -18.54 37.23 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.716 2.278 . . . . 0.0 112.365 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 63.9 p -68.56 147.26 52.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.9 t -125.35 139.61 53.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.465 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.419 -0.272 . . . . 0.0 112.419 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.4 t -174.53 150.48 1.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 0.0 110.879 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.1 m -141.84 175.95 9.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.96 80.69 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.1 t -125.3 133.36 52.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.877 0.37 . . . . 0.0 110.867 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.1 t -165.63 159.43 16.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.852 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.49 79.54 0.34 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -3.78 12.71 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.622 2.214 . . . . 0.0 112.344 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.21 91.9 1.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.09 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.0 p -116.27 41.33 2.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -100.93 89.33 3.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 86.2 m95 -132.13 88.32 2.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.696 ' H ' HD23 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -91.2 -34.73 14.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.936 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.0 m -64.1 94.5 0.11 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -108.79 92.6 4.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.07 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -125.96 142.33 51.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.2 m -107.99 110.29 21.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.479 ' CG ' ' O ' ' A' ' 18' ' ' PHE . 52.4 t80 -99.63 42.97 1.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.485 ' CG ' HD12 ' A' ' 22' ' ' LEU . 3.7 tt0 -114.83 33.8 5.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 81.0 p -82.97 -26.87 30.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -135.02 92.53 2.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.726 HD22 ' O ' ' A' ' 54' ' ' ASN . 22.0 mt -148.75 160.56 43.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -101.66 82.3 2.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.53 ' O ' HG21 ' A' ' 104' ' ' VAL . 1.8 tm-20 -92.94 -32.2 14.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.0 t -42.25 -23.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 24' ' ' GLU . 16.6 ptt180 -108.92 139.59 43.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.2 m -68.48 147.41 98.11 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.588 0.709 . . . . 0.0 111.152 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 98.05 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.707 2.271 . . . . 0.0 112.34 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -48.8 165.78 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.911 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.603 HG23 ' HD2' ' A' ' 31' ' ' PRO . 3.5 p -38.88 136.81 0.93 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.653 0.74 . . . . 0.0 111.127 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.603 ' HD2' HG23 ' A' ' 30' ' ' VAL . 54.4 Cg_endo -69.71 164.18 35.47 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.677 2.251 . . . . 0.0 112.402 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.4 p -45.04 -47.94 11.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 81.2 p -175.32 -177.19 1.0 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.848 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.436 HD22 ' HB3' ' A' ' 98' ' ' LEU . 3.5 tp -150.91 112.91 4.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 38.7 t-80 -98.3 146.05 26.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.409 HG12 HG22 ' A' ' 45' ' ' VAL . 3.3 m -136.95 136.22 47.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.102 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.77 110.29 40.48 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.609 0.719 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.4 ' HB2' ' O ' ' A' ' 115' ' ' VAL . 53.2 Cg_endo -69.78 121.78 8.46 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.688 2.259 . . . . 0.0 112.325 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.517 ' O ' ' C ' ' A' ' 40' ' ' VAL . 2.5 mp -114.38 154.9 27.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.669 HG12 HG23 ' A' ' 41' ' ' THR . 97.7 t -27.49 -69.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.669 HG23 HG12 ' A' ' 40' ' ' VAL . 40.5 p -119.2 0.44 11.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.486 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 4.2 p -120.28 -177.87 3.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.486 ' CG1' ' O ' ' A' ' 42' ' ' SER . 39.3 mt -159.91 105.01 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.127 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.465 HG23 HD13 ' A' ' 39' ' ' LEU . 85.0 t -71.92 113.89 9.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.419 HG13 HD11 ' A' ' 34' ' ' LEU . 96.9 t -107.3 100.84 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.147 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 t -106.72 128.54 54.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.641 ' CZ3' HD11 ' A' ' 62' ' ' ILE . 47.8 p90 -126.15 178.01 6.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 40.0 p -142.15 153.28 63.19 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.599 0.714 . . . . 0.0 111.104 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 160.21 50.56 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.689 2.26 . . . . 0.0 112.35 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 133.36 25.38 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.65 2.233 . . . . 0.0 112.314 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -38.56 -39.47 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.463 ' HB3' HD12 ' A' ' 55' ' ' ILE . 15.8 t-20 -78.54 62.43 3.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -45.52 -29.23 1.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.726 ' O ' HD22 ' A' ' 22' ' ' LEU . 29.6 m-80 -46.45 -36.45 6.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.463 HD12 ' HB3' ' A' ' 52' ' ' ASN . 35.7 mt -74.28 121.67 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.405 ' CG2' ' HB2' ' A' ' 24' ' ' GLU . 54.7 t -59.88 146.74 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 94.5 t -136.3 112.02 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.151 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.0 mmt85 -77.69 -42.32 34.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 179.35 -177.02 48.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.504 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -127.7 173.23 10.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.895 0.378 . . . . 0.0 110.944 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.633 ' HB2' ' HD3' ' A' ' 75' ' ' LYS . . . -132.28 112.01 11.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.083 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.641 HD11 ' CZ3' ' A' ' 47' ' ' TRP . 30.5 mt -96.55 123.44 48.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -120.86 127.61 7.07 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.474 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.633 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 2.9 p90 -121.15 160.62 23.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.883 0.373 . . . . 0.0 110.989 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 163.78 121.64 0.57 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.469 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 66.6 mt -47.77 122.47 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 0.0 111.154 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.21 -45.8 2.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.462 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.594 ' HB2' ' CD2' ' A' ' 70' ' ' HIS . 23.2 m -138.89 130.55 15.36 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.671 0.748 . . . . 0.0 110.831 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 0.29 5.89 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.692 2.261 . . . . 0.0 112.324 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.594 ' CD2' ' HB2' ' A' ' 68' ' ' SER . 0.6 OUTLIER -81.6 49.09 1.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.633 ' HB3' ' O ' ' A' ' 64' ' ' TYR . . . -115.92 -55.1 2.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.057 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -139.01 166.99 23.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.0 m -141.98 136.38 30.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.12 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.58 HD13 ' CE1' ' A' ' 83' ' ' TYR . 87.6 mt -125.9 114.87 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.088 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.633 ' HD3' ' HB2' ' A' ' 61' ' ' ALA . 32.6 mmtt -101.29 116.69 33.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 31.5 m -118.87 167.88 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -78.28 165.99 23.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.804 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.531 ' CE2' ' HG3' ' A' ' 79' ' ' LYS . 27.7 p90 -57.87 -46.15 85.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.531 ' HG3' ' CE2' ' A' ' 78' ' ' TYR . 22.8 mttm -44.34 -47.14 9.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.855 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -53.25 112.16 0.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.93 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.69 -39.33 27.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.864 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.454 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 53.3 p90 -143.11 175.35 9.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.58 ' CE1' HD13 ' A' ' 74' ' ' ILE . 27.4 t80 -139.32 131.52 28.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 91.5 m -98.38 93.15 6.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.141 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 53.3 mt -71.8 114.91 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -112.72 172.45 6.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 69.98 48.53 0.54 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 16.6 mt -117.96 170.55 8.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -95.56 119.95 64.37 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.592 0.711 . . . . 0.0 110.854 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 152.9 69.65 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.657 2.238 . . . . 0.0 112.351 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.1 t 69.64 47.27 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.7 t -157.26 146.35 19.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.432 ' CD2' ' N ' ' A' ' 94' ' ' TYR . 4.6 t-160 -79.59 136.12 36.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.828 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.432 ' N ' ' CD2' ' A' ' 93' ' ' HIS . 19.9 m-85 -130.01 118.1 21.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 44.7 t -87.73 115.23 27.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.161 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.563 ' N ' HD12 ' A' ' 96' ' ' ILE . 3.2 mp -103.59 140.26 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.701 HG22 ' O ' ' A' ' 110' ' ' LEU . 22.1 p -127.59 155.81 43.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.517 HD22 ' CB ' ' A' ' 47' ' ' TRP . 5.6 tp -145.08 129.93 18.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.922 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.1 ptpp? -134.03 130.5 37.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -84.75 121.41 27.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.474 ' CB ' ' HA ' ' A' ' 106' ' ' GLU . 7.1 p90 -123.56 164.73 18.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 39.1 p-10 -152.09 -176.9 5.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -54.08 -32.36 54.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.53 HG21 ' O ' ' A' ' 24' ' ' GLU . 83.9 t -72.53 -49.56 40.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 174.78 -177.43 46.87 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.506 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.474 ' HA ' ' CB ' ' A' ' 101' ' ' PHE . 9.6 mp0 -86.58 166.34 15.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.883 0.373 . . . . 0.0 110.86 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -114.13 -158.08 12.37 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 3.7 mm -89.15 124.31 65.16 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.599 0.714 . . . . 0.0 111.13 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.411 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 53.3 Cg_endo -69.83 167.64 23.94 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.71 2.273 . . . . 0.0 112.308 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.701 ' O ' HG22 ' A' ' 97' ' ' THR . 26.5 mt -118.89 156.46 29.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -115.53 125.09 52.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -137.29 175.32 9.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 72.8 m -142.07 142.25 32.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.815 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -153.01 112.16 3.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.093 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.4 ' O ' ' HB2' ' A' ' 38' ' ' PRO . 65.1 t -97.24 114.37 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.18 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 17.7 p -57.36 143.81 38.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 29.9 mtp180 -71.16 156.94 91.21 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.607 0.717 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 96.18 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.694 2.263 . . . . 0.0 112.351 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -39.67 124.83 1.73 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.827 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 74.1 p -86.88 133.41 33.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.103 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 61.1 p -92.62 -49.88 5.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 159.84 -176.86 36.52 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.463 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 172.79 12.04 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.695 2.264 . . . . 0.0 112.306 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 73.5 p -94.56 136.98 34.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 77.8 p -133.47 167.03 21.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.838 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.492 -179.955 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.4 m -104.44 -61.9 1.39 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.887 0.375 . . . . 0.0 110.898 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.8 m -98.34 176.49 5.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.84 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.63 110.31 0.4 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.474 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.0 t -115.19 -62.64 1.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.873 0.368 . . . . 0.0 110.886 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.5 m 44.13 42.58 5.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.53 80.17 0.27 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.541 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 175.13 8.52 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.7 2.267 . . . . 0.0 112.323 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -172.35 123.71 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.8 t -170.32 145.64 2.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -150.45 132.32 15.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.767 ' C ' HD23 ' A' ' 13' ' ' LEU . 99.1 m95 -117.99 -54.63 2.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.767 HD23 ' C ' ' A' ' 12' ' ' TRP . 1.3 pt? 36.64 44.29 0.32 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 66.3 m -48.56 97.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -172.78 135.82 0.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.117 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -104.17 75.88 1.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 44.8 p 42.93 39.4 1.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -51.15 -68.95 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.582 ' O ' HD23 ' A' ' 22' ' ' LEU . 6.2 tt0 -170.35 125.11 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.7 t -84.13 34.32 0.51 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -127.55 24.18 6.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.582 HD23 ' O ' ' A' ' 19' ' ' GLU . 4.5 mm? -94.72 170.06 9.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -129.29 126.6 39.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -121.56 27.92 7.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.9 t -99.99 -22.74 15.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.173 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 37.7 ptt180 -121.64 157.11 31.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.7 m -83.55 146.69 50.72 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.657 0.741 . . . . 0.0 111.117 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.439 ' HA ' HG21 ' A' ' 55' ' ' ILE . 53.2 Cg_endo -69.83 104.04 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.307 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -49.91 -178.8 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.649 HG23 ' HD2' ' A' ' 31' ' ' PRO . 4.4 p -47.25 138.64 7.99 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.678 0.752 . . . . 0.0 111.102 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.649 ' HD2' HG23 ' A' ' 30' ' ' VAL . 53.7 Cg_endo -69.79 167.95 23.01 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.619 2.212 . . . . 0.0 112.315 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.6 m -48.01 -53.29 16.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.852 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 t -170.2 -177.82 2.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.461 HD22 ' HB3' ' A' ' 98' ' ' LEU . 5.0 tp -153.82 114.79 4.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -106.28 140.08 39.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.829 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.577 HG12 HG13 ' A' ' 45' ' ' VAL . 29.5 m -132.51 134.13 59.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.457 ' O ' HD12 ' A' ' 39' ' ' LEU . 16.8 ttm-85 -116.99 108.71 43.79 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.622 0.725 . . . . 0.0 110.84 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.543 ' HB3' ' HB1' ' A' ' 114' ' ' ALA . 54.0 Cg_endo -69.76 126.45 13.32 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.643 2.229 . . . . 0.0 112.391 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.518 HD13 HG23 ' A' ' 44' ' ' VAL . 3.3 mp -119.98 154.4 34.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.929 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.612 HG12 HG23 ' A' ' 41' ' ' THR . 59.5 t -31.49 -74.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.612 HG23 HG12 ' A' ' 40' ' ' VAL . 47.7 p -115.02 25.77 10.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.424 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 9.5 p -150.0 179.55 7.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.816 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.424 ' CG1' ' O ' ' A' ' 42' ' ' SER . 54.9 mt -158.24 108.68 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.127 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.518 HG23 HD13 ' A' ' 39' ' ' LEU . 89.9 t -81.72 95.32 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.577 HG13 HG12 ' A' ' 36' ' ' VAL . 83.1 t -88.91 100.13 10.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.1 t -104.88 127.84 52.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.824 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.663 ' CB ' HD22 ' A' ' 98' ' ' LEU . 49.3 p90 -123.14 -175.02 3.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.1 p -142.8 157.69 61.04 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.547 0.689 . . . . 0.0 111.154 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 160.1 50.95 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.68 2.253 . . . . 0.0 112.345 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 51' ' ' GLU . 54.1 Cg_endo -69.73 123.99 10.65 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.725 2.284 . . . . 0.0 112.323 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 50' ' ' PRO . 5.9 mt-10 -34.22 -39.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.68 ' ND2' HD21 ' A' ' 54' ' ' ASN . 6.4 t-20 -88.42 126.9 35.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.501 ' O ' ' N ' ' A' ' 55' ' ' ILE . 1.3 mp0 -97.12 -35.97 10.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.68 HD21 ' ND2' ' A' ' 52' ' ' ASN . 0.1 OUTLIER -37.6 -27.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.962 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.501 ' N ' ' O ' ' A' ' 53' ' ' GLN . 92.4 mt -80.11 136.99 22.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.114 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.476 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 76.7 t -81.2 112.7 19.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.155 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.479 HG11 ' CZ ' ' A' ' 60' ' ' TYR . 98.5 t -104.18 129.47 56.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -100.73 -45.45 5.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -171.36 171.54 44.04 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.516 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.479 ' CZ ' HG11 ' A' ' 57' ' ' VAL . 12.8 m-85 -122.73 164.37 18.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.92 0.39 . . . . 0.0 110.927 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -120.68 142.45 49.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.07 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 14.3 mt -121.81 105.03 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -105.44 125.36 8.24 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -126.16 164.44 20.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.945 0.402 . . . . 0.0 110.892 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 152.26 131.86 1.75 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.873 HD11 ' CZ ' ' A' ' 94' ' ' TYR . 5.1 mp -62.49 136.1 26.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.869 0.366 . . . . 0.0 111.156 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 81.04 -44.43 3.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.469 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.7 m -158.14 139.24 9.53 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.69 0.757 . . . . 0.0 110.862 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 0.18 5.99 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.651 2.234 . . . . 0.0 112.383 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -82.3 42.92 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -118.77 -67.61 0.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.425 ' NE2' ' HA ' ' A' ' 72' ' ' GLN . 5.4 mm-40 -131.47 146.24 52.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.5 t -142.61 153.05 43.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 31.2 mt -139.03 117.9 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.169 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 52.5 mttm -99.27 120.31 39.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 28.2 m -125.37 166.04 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -57.66 167.57 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -70.79 -44.83 65.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.4 mttp -40.7 -43.31 1.93 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.893 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -52.32 116.08 2.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.9 tmm_? -82.59 -39.22 22.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.408 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 25.5 p90 -143.46 167.78 21.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -138.67 126.38 22.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 89.6 m -101.65 105.49 16.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.161 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.5 ' HB ' HD11 ' A' ' 88' ' ' LEU . 41.1 mt -81.02 134.82 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.454 ' O ' ' CG ' ' A' ' 87' ' ' ASN . 43.6 mt-10 -117.4 -174.8 2.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.454 ' CG ' ' O ' ' A' ' 86' ' ' GLU . 0.5 OUTLIER 48.52 49.01 18.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.5 HD11 ' HB ' ' A' ' 85' ' ' ILE . 53.1 mt -109.51 179.41 4.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -111.12 122.67 37.22 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.522 0.677 . . . . 0.0 110.884 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -179.53 2.96 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.673 2.249 . . . . 0.0 112.369 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.2 p 42.46 40.56 1.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.8 m -144.33 133.52 22.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.863 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -80.1 123.19 27.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.873 ' CZ ' HD11 ' A' ' 66' ' ' ILE . 22.6 m-85 -114.41 129.54 56.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 59.4 t -98.12 107.66 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.11 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.649 ' N ' HD12 ' A' ' 96' ' ' ILE . 2.9 mp -93.82 140.87 15.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.72 HG22 ' O ' ' A' ' 110' ' ' LEU . 21.2 p -134.51 127.63 31.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.138 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.663 HD22 ' CB ' ' A' ' 47' ' ' TRP . 7.1 tp -118.06 140.94 49.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -146.43 137.16 24.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.35 130.16 34.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.131 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -138.76 141.91 38.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 56' ' ' VAL . 35.2 p-10 -126.54 -175.08 3.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -44.48 -28.32 0.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 10.6 t -77.86 -50.03 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.136 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 160.56 -173.12 37.07 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.5 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -96.32 161.99 13.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.898 0.38 . . . . 0.0 110.879 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -108.62 -123.93 4.92 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.454 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.5 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -107.81 121.43 44.06 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.636 0.731 . . . . 0.0 111.143 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 170.78 15.78 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.707 2.272 . . . . 0.0 112.341 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.72 ' O ' HG22 ' A' ' 97' ' ' THR . 23.4 mt -112.19 171.66 7.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -128.0 118.92 24.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -127.22 -179.22 4.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.851 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 52.7 p -142.0 150.0 40.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.817 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.543 ' HB1' ' HB3' ' A' ' 38' ' ' PRO . . . -161.4 111.01 1.61 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.115 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 92.9 t -100.46 107.58 21.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.117 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 37.3 p -64.02 128.76 37.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -61.54 154.96 62.24 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.624 0.726 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 118.38 5.65 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.657 2.238 . . . . 0.0 112.39 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -64.26 88.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.816 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 66.6 p -110.29 99.42 8.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 51.1 m 50.99 42.1 28.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 42.74 -154.86 0.15 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.534 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 2.55 3.44 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.715 2.277 . . . . 0.0 112.348 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 32.6 t -90.55 117.3 29.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 126' ' ' GLY . 1.3 t -111.89 146.49 37.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.854 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 125' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.501 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.5 m -51.2 -47.52 62.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.9 0.381 . . . . 0.0 110.834 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t -106.89 161.9 14.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.822 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.38 -94.89 0.13 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.444 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.4 m 61.81 41.37 11.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.821 0.343 . . . . 0.0 110.841 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.8 p -160.81 144.52 13.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.825 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.0 -154.63 12.7 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 152.32 69.2 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.7 2.267 . . . . 0.0 112.331 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -112.12 147.46 36.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.081 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 43.1 m -69.59 136.78 51.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -131.29 141.78 50.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 8.1 p-90 -133.35 151.45 51.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.632 ' H ' HD23 ' A' ' 13' ' ' LEU . 2.7 pt? -130.58 177.23 7.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 t -111.32 173.0 6.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.12 -62.61 0.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.121 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -82.28 98.78 8.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 58.0 p -146.77 116.1 7.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.117 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -83.01 170.65 14.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 21' ' ' ASP . 70.0 mm-40 -69.84 130.79 43.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 19' ' ' GLU . 27.1 t 36.28 31.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 19' ' ' GLU . 11.9 m-20 62.13 53.03 3.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 21.0 mt -41.35 155.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.441 ' O ' HG23 ' A' ' 56' ' ' VAL . 11.7 t0 -95.36 114.72 26.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.821 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -123.45 34.2 5.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.1 t -108.44 -11.63 15.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.3 ptt180 -138.56 155.6 48.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.827 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.441 HG12 ' N ' ' A' ' 105' ' ' GLY . 13.6 m -79.38 144.51 62.04 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.654 0.74 . . . . 0.0 111.16 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.448 ' HD3' ' CG ' ' A' ' 102' ' ' ASN . 53.9 Cg_endo -69.72 100.69 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.717 2.278 . . . . 0.0 112.338 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -50.73 174.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.713 ' CG2' HD21 ' A' ' 110' ' ' LEU . 3.6 p -40.99 137.44 1.48 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.643 0.735 . . . . 0.0 111.099 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.606 ' HD2' HG23 ' A' ' 30' ' ' VAL . 53.7 Cg_endo -69.81 172.4 12.75 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.626 2.217 . . . . 0.0 112.335 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.9 t -49.35 -47.84 47.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 74.9 p -174.59 -176.04 1.01 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.875 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.606 HD23 ' OE1' ' A' ' 112' ' ' GLU . 4.5 tp -154.56 114.29 3.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.444 ' CE1' ' HG3' ' A' ' 37' ' ' ARG . 8.1 t-80 -106.04 147.58 28.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.463 HG12 HG13 ' A' ' 45' ' ' VAL . 26.2 m -137.01 139.13 44.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.578 ' O ' HD12 ' A' ' 39' ' ' LEU . 23.5 mtt-85 -116.4 107.85 46.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.611 0.72 . . . . 0.0 110.859 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.526 ' HB3' ' HB1' ' A' ' 114' ' ' ALA . 53.6 Cg_endo -69.73 123.43 10.1 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.739 2.293 . . . . 0.0 112.313 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.578 HD12 ' O ' ' A' ' 37' ' ' ARG . 6.1 mp -118.88 154.54 32.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.751 HG12 HG23 ' A' ' 41' ' ' THR . 99.9 t -29.81 -73.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.751 HG23 HG12 ' A' ' 40' ' ' VAL . 76.1 p -117.28 25.34 10.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.166 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.451 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 2.9 t -148.5 179.64 7.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.814 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.454 HG13 ' CD1' ' A' ' 88' ' ' LEU . 53.7 mt -158.82 107.01 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.103 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 75.8 t -78.0 92.52 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.463 HG13 HG12 ' A' ' 36' ' ' VAL . 62.5 t -82.91 104.06 11.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.13 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 73.8 p -108.12 124.36 50.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.554 ' CZ3' HD11 ' A' ' 62' ' ' ILE . 48.6 p90 -121.2 175.17 6.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.0 p -133.13 156.89 79.5 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.565 0.697 . . . . 0.0 111.122 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 160.28 50.28 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.663 2.242 . . . . 0.0 112.35 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 51' ' ' GLU . 54.0 Cg_endo -69.71 124.56 11.23 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.67 2.247 . . . . 0.0 112.382 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 50' ' ' PRO . 9.2 mt-10 -36.14 -37.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 31.8 t-20 -89.48 94.36 9.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.923 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 54' ' ' ASN . 18.4 mm100 -69.07 -40.4 78.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 53' ' ' GLN . 31.2 m120 -36.37 -40.16 0.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 73.8 mt -69.5 139.05 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.133 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 23' ' ' ASP . 73.4 t -74.24 136.46 25.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 65.4 t -134.83 115.48 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.114 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -83.59 -46.72 12.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.811 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -171.38 -168.07 32.49 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.438 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.413 ' CB ' HD11 ' A' ' 98' ' ' LEU . 4.6 m-85 -138.62 144.63 39.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.877 0.37 . . . . 0.0 110.96 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -102.88 117.67 35.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.112 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.554 HD11 ' CZ3' ' A' ' 47' ' ' TRP . 54.0 mt -94.48 126.94 46.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -118.16 119.56 4.43 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.519 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.462 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 40.4 p90 -128.88 150.81 50.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.964 0.411 . . . . 0.0 110.903 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 163.65 134.97 1.73 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.478 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.545 HG13 ' CE2' ' A' ' 94' ' ' TYR . 55.5 mt -57.48 120.14 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.867 0.365 . . . . 0.0 111.137 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.01 -53.44 3.95 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.493 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 44.3 m -140.19 139.19 20.45 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.654 0.74 . . . . 0.0 110.847 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.66 0.69 5.21 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.679 2.253 . . . . 0.0 112.392 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -83.57 42.45 0.84 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 64' ' ' TYR . . . -108.59 -52.15 2.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.089 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -149.88 148.13 28.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 66.0 m -130.96 132.98 45.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.177 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.463 HD13 ' CZ ' ' A' ' 83' ' ' TYR . 78.5 mt -120.16 110.07 27.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -90.34 125.97 35.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 18.6 m -136.72 154.99 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -60.78 164.31 4.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.446 ' O ' ' C ' ' A' ' 79' ' ' LYS . 35.1 p90 -58.71 -49.9 75.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.957 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 78' ' ' TYR . 34.9 mmtm -34.1 -49.14 0.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 53.4 mm-40 -49.42 116.99 1.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.14 -37.1 17.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.444 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 25.1 p90 -146.93 169.57 18.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.463 ' CZ ' HD13 ' A' ' 74' ' ' ILE . 31.4 t80 -140.95 129.89 23.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.908 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 85.9 m -94.0 98.98 11.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.119 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 49.3 mt -77.61 100.32 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.127 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -95.62 175.96 6.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.936 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 67.75 48.38 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.454 ' CD1' HG13 ' A' ' 43' ' ' ILE . 19.6 mt -117.81 165.85 13.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -91.11 124.13 62.54 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.639 0.733 . . . . 0.0 110.864 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 144.29 53.69 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.69 2.26 . . . . 0.0 112.335 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t 69.51 44.12 0.94 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.7 m -142.01 142.12 32.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.824 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -79.72 132.81 36.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.84 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.545 ' CE2' HG13 ' A' ' 66' ' ' ILE . 34.4 m-85 -130.49 131.9 45.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 95.4 t -98.86 105.0 16.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.092 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 5.1 mp -91.54 139.2 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.604 HG22 ' O ' ' A' ' 110' ' ' LEU . 53.8 p -131.42 158.34 41.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.564 ' HB3' HD22 ' A' ' 34' ' ' LEU . 5.0 tp -150.79 132.63 15.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -135.99 131.51 35.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -84.76 124.51 31.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 43.2 p90 -134.09 146.67 50.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.448 ' CG ' ' HD3' ' A' ' 28' ' ' PRO . 52.5 p-10 -134.69 -174.74 3.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -48.46 -24.41 1.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 23.2 t -80.11 -50.11 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.441 ' N ' HG12 ' A' ' 27' ' ' VAL . . . 167.35 -169.13 40.89 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.477 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -108.06 145.07 34.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.891 0.377 . . . . 0.0 110.884 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -91.12 -134.76 6.18 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.498 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.55 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -105.67 128.27 26.83 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.645 0.736 . . . . 0.0 111.098 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.412 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 54.6 Cg_endo -69.72 173.25 11.2 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.68 2.254 . . . . 0.0 112.349 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.713 HD21 ' CG2' ' A' ' 30' ' ' VAL . 73.0 mt -117.63 159.66 22.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.451 ' C ' ' OE1' ' A' ' 112' ' ' GLU . 6.2 m-85 -117.07 121.94 42.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.606 ' OE1' HD23 ' A' ' 34' ' ' LEU . 0.5 OUTLIER -125.67 172.2 9.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 54.9 p -142.07 134.91 28.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.885 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.526 ' HB1' ' HB3' ' A' ' 38' ' ' PRO . . . -161.38 121.58 2.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.083 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 95.4 t -103.58 105.45 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 27.6 p -45.42 136.66 5.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.179 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -67.02 154.22 92.95 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.602 0.715 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 130.7 19.79 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.725 2.283 . . . . 0.0 112.301 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 18.1 t-80 -65.67 141.56 58.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.831 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 76.3 p -123.26 169.2 11.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.168 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.1 m -129.16 130.35 46.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -70.8 119.26 8.1 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.494 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 137.18 34.63 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.66 2.24 . . . . 0.0 112.364 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.4 t -80.76 155.32 26.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 84.7 p -39.52 -46.64 1.76 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.435 179.978 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.6 m -156.61 147.17 21.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.848 0.356 . . . . 0.0 110.846 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -156.93 150.8 24.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.33 -177.08 40.27 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.511 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.4 p -149.54 153.18 36.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.899 0.38 . . . . 0.0 110.89 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.6 m -98.01 166.08 11.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.53 136.0 4.98 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.517 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 160.79 48.4 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.691 2.261 . . . . 0.0 112.353 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -47.94 156.69 0.33 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.071 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.3 t -128.93 134.0 48.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -107.94 -55.72 2.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 49.3 m95 -127.01 118.05 23.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.6 mp -53.13 117.11 2.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 t -40.81 142.21 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -94.67 39.94 1.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.091 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -41.46 104.99 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.6 p -58.89 122.59 14.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.16 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -91.93 112.99 25.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -63.97 149.88 46.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 t -88.21 44.27 1.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -109.13 33.98 3.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -106.58 166.12 10.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -69.5 115.95 9.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -125.03 37.44 4.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.2 t -117.59 -10.66 10.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.145 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -127.5 151.97 48.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.1 m -86.79 146.41 41.04 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.633 0.73 . . . . 0.0 111.132 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 107.36 1.83 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.692 2.261 . . . . 0.0 112.372 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 30' ' ' VAL . 1.8 pp20? -62.7 168.07 4.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.836 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.824 ' CG2' HD21 ' A' ' 110' ' ' LEU . 2.9 p -34.86 136.15 0.4 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.583 0.706 . . . . 0.0 111.133 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.713 ' HG2' HD11 ' A' ' 110' ' ' LEU . 54.0 Cg_endo -69.7 -179.2 2.72 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.681 2.254 . . . . 0.0 112.384 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.7 p -61.56 -43.63 98.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.843 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.7 m -174.98 -178.42 1.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.41 ' CD2' ' HB2' ' A' ' 112' ' ' GLU . 2.7 tp -147.44 116.23 6.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.932 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -105.75 137.01 44.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.494 ' CG2' ' HG3' ' A' ' 112' ' ' GLU . 3.6 m -134.95 129.82 51.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -111.04 110.52 56.65 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.586 0.708 . . . . 0.0 110.827 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 122.31 8.98 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.646 2.231 . . . . 0.0 112.347 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.458 ' O ' ' C ' ' A' ' 40' ' ' VAL . 3.3 mp -115.88 154.16 30.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.568 HG12 HG23 ' A' ' 41' ' ' THR . 66.1 t -33.03 -75.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.114 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.568 HG23 HG12 ' A' ' 40' ' ' VAL . 34.8 p -113.08 25.04 11.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.133 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.5 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 12.9 p -150.9 -178.39 6.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.5 ' CG1' ' O ' ' A' ' 42' ' ' SER . 21.9 mt -160.58 106.8 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.145 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.456 HG23 HD13 ' A' ' 39' ' ' LEU . 97.0 t -76.27 100.4 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.416 HG13 HG12 ' A' ' 36' ' ' VAL . 45.0 t -92.18 100.37 11.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.138 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -106.17 124.31 49.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.597 ' CB ' HD22 ' A' ' 98' ' ' LEU . 47.8 p90 -120.77 -178.54 3.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.884 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -143.77 153.7 58.14 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.545 0.688 . . . . 0.0 111.153 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 158.18 57.75 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.669 2.246 . . . . 0.0 112.324 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 144.11 53.07 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.708 2.272 . . . . 0.0 112.324 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -41.52 -40.7 1.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -75.26 100.02 4.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -88.32 25.33 1.67 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -110.16 -22.08 11.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 73.1 mt -76.55 125.94 36.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.9 t -66.19 112.65 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 45.9 t -112.43 117.98 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.11 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -83.5 -24.44 31.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 165.26 -171.11 40.49 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.512 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -132.12 157.93 42.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.904 0.383 . . . . 0.0 110.887 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.4 107.43 13.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.122 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.457 HD11 ' CZ3' ' A' ' 47' ' ' TRP . 12.3 mt -89.36 155.84 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.443 ' N ' HG22 ' A' ' 62' ' ' ILE . . . -145.94 139.85 8.48 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.521 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.443 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 55.1 p90 -139.48 154.89 47.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.968 0.414 . . . . 0.0 110.906 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 164.98 160.26 12.2 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.586 HD11 ' CZ ' ' A' ' 94' ' ' TYR . 43.6 mm -81.41 102.48 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.819 0.342 . . . . 0.0 111.136 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.55 -41.13 2.21 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.511 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.2 t -148.12 137.99 12.52 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.653 0.74 . . . . 0.0 110.862 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.584 ' HG3' HG21 ' A' ' 97' ' ' THR . 53.6 Cg_endo -69.79 -15.4 36.95 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.728 2.285 . . . . 0.0 112.33 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.406 ' CD2' ' N ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -55.75 -19.93 12.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.911 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 64' ' ' TYR . . . -48.07 -64.7 0.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.099 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -132.92 153.46 51.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 63.8 m -139.79 129.82 24.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 77.8 mt -121.37 124.5 72.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.162 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.4 mttp -112.15 129.35 56.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 24.5 m -132.91 172.89 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.091 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -65.22 175.94 1.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.522 ' CE1' ' HG3' ' A' ' 79' ' ' LYS . 39.5 p90 -77.32 -39.85 46.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.522 ' HG3' ' CE1' ' A' ' 78' ' ' TYR . 52.2 mttt -44.45 -37.12 3.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.945 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -68.12 125.02 25.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.918 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.91 -11.7 16.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.455 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 4.1 p90 -155.87 158.86 38.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.943 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -138.87 128.79 25.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.942 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 80.1 m -94.29 100.89 12.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.158 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 44.3 mt -79.31 130.92 35.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -124.28 171.95 9.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 69.81 51.68 0.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 13.4 mt -120.36 175.43 5.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.938 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -100.85 122.65 48.27 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.657 0.741 . . . . 0.0 110.849 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 155.24 66.39 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.646 2.231 . . . . 0.0 112.344 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 27.1 t 60.5 51.76 5.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.814 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.4 m -153.78 144.64 22.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.431 ' CD2' ' N ' ' A' ' 94' ' ' TYR . 4.3 t-160 -81.4 131.06 35.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.586 ' CZ ' HD11 ' A' ' 66' ' ' ILE . 26.3 m-85 -126.25 130.93 51.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 83.7 t -94.16 111.37 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.136 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.445 HG21 HG11 ' A' ' 36' ' ' VAL . 3.0 mp -99.33 142.47 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.173 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.584 HG21 ' HG3' ' A' ' 69' ' ' PRO . 72.9 p -138.25 152.87 48.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.597 HD22 ' CB ' ' A' ' 47' ' ' TRP . 5.5 tp -143.18 137.22 28.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -140.53 140.07 35.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -85.51 136.58 33.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.066 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.487 ' CD1' ' C ' ' A' ' 101' ' ' PHE . 4.3 p90 -134.16 167.34 20.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 29.2 p-10 -170.73 177.47 3.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -49.94 -26.89 4.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 61.6 t -75.86 -43.83 39.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.081 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 160.92 -155.58 26.78 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.472 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -114.09 159.01 20.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.906 0.384 . . . . 0.0 110.874 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -106.77 -146.01 12.97 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.495 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -103.39 123.98 39.72 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.641 0.734 . . . . 0.0 111.102 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 163.7 37.31 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.671 2.248 . . . . 0.0 112.328 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.824 HD21 ' CG2' ' A' ' 30' ' ' VAL . 27.0 mt -111.64 163.65 13.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -118.58 108.15 14.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.494 ' HG3' ' CG2' ' A' ' 36' ' ' VAL . 4.9 tp10 -114.97 175.36 5.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 79.2 p -138.97 148.74 43.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.848 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -164.61 111.16 1.02 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.055 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 42.3 t -93.63 106.6 18.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 26.0 p -53.09 136.56 35.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.197 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 74.4 mtt-85 -66.57 148.97 98.49 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.591 0.71 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 129.18 17.22 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.733 2.289 . . . . 0.0 112.345 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -75.39 78.74 2.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 13.4 t -96.93 -37.49 10.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 46.5 t -86.65 166.14 15.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.867 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -159.67 -156.42 8.11 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.453 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -4.31 13.8 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.729 2.286 . . . . 0.0 112.33 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.0 t -65.98 118.66 10.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.829 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 9.0 t -172.16 133.05 0.67 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.847 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.506 -179.935 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.2 p -149.14 175.24 11.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.86 0.362 . . . . 0.0 110.84 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 m -146.13 170.96 15.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.95 -162.14 11.71 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.8 p -167.11 174.9 7.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.855 0.359 . . . . 0.0 110.873 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m -135.91 171.51 14.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.05 97.92 0.22 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.513 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -174.7 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.689 2.259 . . . . 0.0 112.358 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -86.24 88.44 7.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 43.4 p -142.12 112.5 7.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.088 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.407 ' OD1' ' CD1' ' A' ' 12' ' ' TRP . 9.8 t70 -117.4 -45.56 2.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.84 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.407 ' CD1' ' OD1' ' A' ' 11' ' ' ASP . 1.9 m-90 -116.9 102.69 9.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.421 HD12 ' N ' ' A' ' 13' ' ' LEU . 8.4 mp -72.1 -61.94 1.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.4 m -166.6 145.25 5.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -128.57 81.7 2.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.08 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -123.74 42.14 3.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.9 t -161.01 162.28 31.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -76.05 98.57 4.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -55.31 146.34 19.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.1 t -83.14 49.19 1.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -106.86 -47.48 3.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.6 mt -52.84 176.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -73.87 97.52 2.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.403 ' O ' ' CG2' ' A' ' 104' ' ' VAL . 9.1 tt0 -121.86 30.84 6.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.2 t -107.03 -18.99 13.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.178 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.0 ptt180 -125.98 147.69 49.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.505 HG12 ' N ' ' A' ' 105' ' ' GLY . 11.3 m -76.61 142.75 70.85 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.663 0.744 . . . . 0.0 111.104 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 102.91 1.07 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.673 2.249 . . . . 0.0 112.343 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 30' ' ' VAL . 2.4 pt-20 -58.95 176.12 0.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.852 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.508 HG23 ' HD2' ' A' ' 31' ' ' PRO . 2.6 p -34.98 134.47 0.43 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.66 0.743 . . . . 0.0 111.106 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.593 ' HG2' HD11 ' A' ' 110' ' ' LEU . 54.2 Cg_endo -69.74 179.32 3.77 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.702 2.268 . . . . 0.0 112.379 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.3 m -52.82 -48.34 67.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.832 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 74.6 p -174.46 -175.06 0.91 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.58 ' HB3' HD13 ' A' ' 110' ' ' LEU . 3.1 tp -150.87 124.92 9.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.935 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -112.95 139.29 48.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.7 m -135.47 141.4 42.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.163 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.1 ttm180 -122.13 109.95 33.14 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.578 0.704 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.619 ' HB3' ' HB1' ' A' ' 114' ' ' ALA . 53.6 Cg_endo -69.78 114.81 3.83 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.67 2.246 . . . . 0.0 112.365 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.485 ' O ' ' C ' ' A' ' 40' ' ' VAL . 6.1 mp -109.02 154.52 22.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.768 HG12 HG23 ' A' ' 41' ' ' THR . 85.8 t -30.57 -75.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.768 HG23 HG12 ' A' ' 40' ' ' VAL . 73.9 p -114.6 25.53 10.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.487 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 0.5 OUTLIER -151.75 -178.04 6.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.851 -179.863 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.487 ' CG1' ' O ' ' A' ' 42' ' ' SER . 36.9 mt -160.02 110.02 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.148 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.402 HG23 HD13 ' A' ' 39' ' ' LEU . 98.2 t -75.71 97.58 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.8 t -87.69 100.17 9.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.151 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.3 t -107.82 125.69 51.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.623 ' CB ' HD22 ' A' ' 98' ' ' LEU . 47.0 p90 -124.24 -177.17 3.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.8 p -144.67 149.95 45.24 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.614 0.721 . . . . 0.0 111.114 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 161.66 45.07 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.683 2.255 . . . . 0.0 112.363 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.498 ' O ' ' N ' ' A' ' 52' ' ' ASN . 53.9 Cg_endo -69.69 121.45 8.16 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.661 2.241 . . . . 0.0 112.343 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 50' ' ' PRO . 4.3 mt-10 -35.07 -32.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.498 ' N ' ' O ' ' A' ' 50' ' ' PRO . 36.0 t-20 -86.56 88.98 7.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 54' ' ' ASN . 22.4 mm-40 -64.78 -38.64 91.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 53' ' ' GLN . 1.2 m-20 -35.09 -39.42 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 13.9 mt -71.7 126.76 32.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 71.6 t -66.65 142.17 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.105 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.59 HG11 ' CZ ' ' A' ' 60' ' ' TYR . 85.9 t -141.27 119.88 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -89.44 -35.05 16.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.512 ' C ' ' CD1' ' A' ' 60' ' ' TYR . . . -179.03 -162.44 28.38 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.451 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.59 ' CZ ' HG11 ' A' ' 57' ' ' VAL . 2.5 m-85 -146.84 167.31 24.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.893 0.377 . . . . 0.0 110.907 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -121.35 132.85 55.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.091 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 26.3 mt -114.13 120.96 65.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.127 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -115.93 129.86 8.74 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.41 ' CE1' HD11 ' A' ' 74' ' ' ILE . 24.6 p90 -132.08 150.53 52.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.936 0.398 . . . . 0.0 110.891 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 172.3 139.4 2.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.463 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.4 HG13 ' CE1' ' A' ' 94' ' ' TYR . 60.5 mt -56.97 100.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.88 0.372 . . . . 0.0 111.13 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.24 -49.49 4.22 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.496 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 64.0 p -113.74 115.17 46.55 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.671 0.748 . . . . 0.0 110.858 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -4.95 15.01 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.692 2.261 . . . . 0.0 112.364 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 66.3 m-70 -86.7 39.17 0.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -103.45 -51.13 3.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.073 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.5 mp0 -136.78 157.93 45.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.7 m -137.02 133.95 36.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.147 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.41 HD11 ' CE1' ' A' ' 64' ' ' TYR . 33.2 mt -120.56 120.84 63.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.14 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 46.8 mttt -103.99 138.5 40.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 34.4 m -145.18 -175.01 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.136 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.436 ' CB ' ' OE1' ' A' ' 80' ' ' GLN . 7.4 t0 -95.75 168.09 10.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -60.92 -36.7 79.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.947 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 20.1 mmtp -52.08 -43.19 63.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.436 ' OE1' ' CB ' ' A' ' 77' ' ' ASP . 2.7 mp0 -57.1 121.06 9.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.12 -35.46 11.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.427 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 6.4 p90 -142.64 167.18 22.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -138.07 133.07 33.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.95 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 85.5 m -101.69 95.55 6.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 21.6 mt -76.7 111.95 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -104.65 174.33 5.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 67.01 48.93 1.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 84.7 mt -115.95 164.36 14.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.19 122.41 66.39 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.611 0.719 . . . . 0.0 110.885 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 166.24 28.27 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.667 2.245 . . . . 0.0 112.367 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.7 m 53.92 48.99 20.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.839 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 41.3 m -153.36 150.23 28.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.407 ' CD2' ' N ' ' A' ' 94' ' ' TYR . 6.1 t-160 -90.82 131.53 36.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.826 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.407 ' N ' ' CD2' ' A' ' 93' ' ' HIS . 31.4 m-85 -123.57 130.06 52.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.952 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 61.0 t -91.91 111.55 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.124 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.1 mp -98.5 137.88 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.09 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.505 HG22 ' O ' ' A' ' 110' ' ' LEU . 80.6 p -135.01 145.92 48.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.131 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.623 HD22 ' CB ' ' A' ' 47' ' ' TRP . 4.5 tp -139.27 137.01 35.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.967 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -139.34 129.74 25.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.16 120.99 24.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.106 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.555 ' CD1' ' C ' ' A' ' 101' ' ' PHE . 1.2 p90 -124.74 146.59 49.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.836 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 48.7 p-10 -141.16 -176.02 4.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -44.96 -41.66 7.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.403 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 98.2 t -69.33 -50.05 55.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.505 ' N ' HG12 ' A' ' 27' ' ' VAL . . . 162.06 -165.75 36.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.491 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.537 ' HB3' ' CB ' ' A' ' 101' ' ' PHE . 1.6 pm0 -118.54 158.51 25.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.871 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -101.11 -127.94 6.24 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.558 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.509 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -105.59 130.04 23.69 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.657 0.741 . . . . 0.0 111.126 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 175.56 7.95 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.691 2.261 . . . . 0.0 112.317 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.593 HD11 ' HG2' ' A' ' 31' ' ' PRO . 9.9 mt -109.19 174.4 5.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -136.26 118.25 15.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -129.86 170.73 13.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 17.8 p -134.54 137.73 44.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.619 ' HB1' ' HB3' ' A' ' 38' ' ' PRO . . . -150.79 123.53 8.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 96.0 t -106.86 102.52 14.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.115 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 17.7 p -48.76 139.18 10.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -66.84 154.14 92.61 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.627 0.727 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 114.22 3.63 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.711 2.274 . . . . 0.0 112.329 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 48.2 t-80 -60.34 91.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 9.8 t -66.32 152.52 44.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 38.0 t -99.01 -47.84 5.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 140.68 -84.69 0.21 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 132.61 23.7 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.697 2.265 . . . . 0.0 112.324 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 54.1 m 60.78 38.07 18.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 13.4 m -62.45 -51.18 68.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 -179.938 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.7 m -96.73 42.14 1.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.85 0.357 . . . . 0.0 110.859 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 4' ' ' GLY . 1.1 t -120.9 171.35 8.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.84 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -35.59 -39.75 0.26 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.496 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -40.75 160.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.795 0.331 . . . . 0.0 110.887 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.3 p -80.42 120.79 24.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.81 -94.58 0.22 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.458 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -2.01 9.48 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.675 2.25 . . . . 0.0 112.328 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.81 176.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.098 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 55.9 p -99.24 41.97 1.12 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 51.28 41.44 27.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.543 ' CZ2' ' HB2' ' A' ' 14' ' ' SER . 4.2 t-105 -106.0 117.01 32.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.0 mt -133.02 41.38 3.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.952 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.543 ' HB2' ' CZ2' ' A' ' 12' ' ' TRP . 7.5 t -48.6 -47.05 40.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.76 96.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.099 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -170.24 121.12 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.911 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.3 p -95.79 35.46 1.38 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.137 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -129.92 38.42 3.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -75.76 152.23 37.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.833 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.0 t 60.83 25.35 15.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.873 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -124.73 -24.33 4.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.459 HD22 ' N ' ' A' ' 22' ' ' LEU . 3.2 mm? -62.73 176.48 0.67 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -128.35 103.42 7.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -132.39 35.7 3.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.2 t -106.51 -20.46 13.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.16 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.677 ' CA ' HG11 ' A' ' 104' ' ' VAL . 5.1 ptp180 -131.34 153.75 49.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.605 HG12 ' N ' ' A' ' 105' ' ' GLY . 24.2 m -71.94 147.97 91.65 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.658 0.742 . . . . 0.0 111.09 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 116.47 4.58 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.658 2.238 . . . . 0.0 112.321 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 30' ' ' VAL . 12.2 pt-20 -65.99 164.44 15.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.659 HG23 ' HD2' ' A' ' 31' ' ' PRO . 4.9 p -34.74 138.76 0.33 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.64 0.733 . . . . 0.0 111.116 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.659 ' HD2' HG23 ' A' ' 30' ' ' VAL . 53.5 Cg_endo -69.78 171.4 14.55 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.1 p -52.58 -50.16 63.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -172.28 175.73 3.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.524 HD23 ' OE1' ' A' ' 112' ' ' GLU . 4.1 tp -147.43 114.46 6.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -104.13 147.44 27.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.5 m -136.04 135.72 50.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.8 107.84 43.7 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.629 0.728 . . . . 0.0 110.857 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.663 ' HB3' ' HB1' ' A' ' 114' ' ' ALA . 53.6 Cg_endo -69.81 121.96 8.63 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.681 2.254 . . . . 0.0 112.326 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.485 ' O ' ' C ' ' A' ' 40' ' ' VAL . 2.9 mp -116.2 154.22 30.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.938 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.596 HG12 HG23 ' A' ' 41' ' ' THR . 68.0 t -30.6 -74.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.596 HG23 HG12 ' A' ' 40' ' ' VAL . 36.0 p -116.0 26.15 10.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.495 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 3.7 p -151.36 -178.03 6.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.495 ' CG1' ' O ' ' A' ' 42' ' ' SER . 21.3 mt -160.5 118.32 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.114 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 74.2 t -85.98 103.41 12.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.14 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 67.7 t -97.55 101.33 12.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.8 t -102.15 139.62 37.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.534 ' CZ3' ' HA ' ' A' ' 82' ' ' TYR . 41.9 p90 -142.88 159.29 42.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 39.7 p -126.83 151.17 73.31 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.564 0.697 . . . . 0.0 111.117 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 163.81 36.83 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.661 2.241 . . . . 0.0 112.381 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 51' ' ' GLU . 53.5 Cg_endo -69.81 130.9 20.08 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.691 2.261 . . . . 0.0 112.357 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 50' ' ' PRO . 9.8 mt-10 -37.44 -47.15 0.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -74.72 85.15 2.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 54' ' ' ASN . 10.9 mm-40 -58.94 -33.71 70.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 53' ' ' GLN . 16.6 m120 -36.48 -41.35 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 43.6 mt -67.45 119.07 12.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.135 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.2 t -67.17 107.69 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.46 HG11 ' CE2' ' A' ' 60' ' ' TYR . 61.2 t -105.09 108.35 24.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.143 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.412 ' HB3' ' NH1' ' A' ' 58' ' ' ARG . 4.4 mmm180 -71.44 -53.73 13.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.448 ' C ' ' CE2' ' A' ' 101' ' ' PHE . . . -166.31 -176.98 37.99 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.476 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.46 ' CE2' HG11 ' A' ' 57' ' ' VAL . 3.3 m-85 -129.48 163.52 25.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.884 0.373 . . . . 0.0 110.892 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.67 126.72 53.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.104 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.46 HD11 ' CH2' ' A' ' 47' ' ' TRP . 18.8 mt -108.01 122.11 61.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -115.24 119.68 4.7 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.504 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.43 ' CG ' HD13 ' A' ' 85' ' ' ILE . 17.6 p90 -126.58 148.89 49.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.892 0.377 . . . . 0.0 110.905 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 171.95 155.54 11.12 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.644 HD11 ' CZ ' ' A' ' 94' ' ' TYR . 30.4 mm -58.1 112.64 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.12 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.48 23.79 0.34 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.51 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.415 ' HB3' ' NE2' ' A' ' 70' ' ' HIS . 73.2 m -167.41 109.34 0.61 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.651 0.739 . . . . 0.0 110.837 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 68' ' ' SER . 53.8 Cg_endo -69.81 -15.02 36.72 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.68 2.253 . . . . 0.0 112.317 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.415 ' NE2' ' HB3' ' A' ' 68' ' ' SER . 21.0 p80 -80.26 42.81 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -112.64 -39.32 4.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -149.04 159.27 44.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.962 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 34.3 m -140.79 139.66 34.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.097 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.441 HD13 ' CE1' ' A' ' 83' ' ' TYR . 80.6 mt -132.08 107.96 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.165 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -93.61 111.74 23.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.432 HG13 HG22 ' A' ' 74' ' ' ILE . 28.2 m -117.7 170.73 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.158 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -79.38 162.08 25.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.824 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.508 ' CZ ' ' HE3' ' A' ' 79' ' ' LYS . 35.1 p90 -52.22 -51.2 59.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.508 ' HE3' ' CZ ' ' A' ' 78' ' ' TYR . 32.4 mttt -35.41 -55.42 0.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.916 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 44.1 mm-40 -44.85 107.29 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.63 -38.65 33.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.534 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 16.3 p90 -143.92 170.16 16.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.441 ' CE1' HD13 ' A' ' 74' ' ' ILE . 27.2 t80 -140.22 131.04 25.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.937 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 58.4 m -103.61 106.36 16.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.43 HD13 ' CG ' ' A' ' 64' ' ' TYR . 59.6 mt -79.97 123.01 36.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.433 ' C ' ' CG ' ' A' ' 87' ' ' ASN . 29.3 mt-10 -109.89 -174.93 2.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.433 ' CG ' ' C ' ' A' ' 86' ' ' GLU . 0.3 OUTLIER 47.88 48.04 18.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 22.0 mt -105.19 172.4 6.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -100.97 115.07 65.75 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.585 0.707 . . . . 0.0 110.856 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 162.35 42.44 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.692 2.261 . . . . 0.0 112.352 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.5 m 59.94 48.13 9.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.5 m -156.59 151.13 25.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.889 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.417 ' CD2' ' N ' ' A' ' 94' ' ' TYR . 4.0 t-160 -86.02 130.57 34.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.824 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.644 ' CZ ' HD11 ' A' ' 66' ' ' ILE . 16.0 m-85 -123.98 133.4 53.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 87.6 t -101.86 128.64 54.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.156 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.555 ' N ' HD12 ' A' ' 96' ' ' ILE . 4.1 mp -112.98 142.38 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.16 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.516 HG22 ' O ' ' A' ' 110' ' ' LEU . 80.7 p -140.64 135.3 31.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.499 HD22 ' CB ' ' A' ' 47' ' ' TRP . 7.3 tp -127.45 136.32 51.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -139.16 135.44 34.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -81.11 132.3 35.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.104 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.453 ' CD1' ' C ' ' A' ' 101' ' ' PHE . 6.6 p90 -133.16 151.48 51.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -157.23 -176.06 5.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -48.76 -43.88 38.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.677 HG11 ' CA ' ' A' ' 26' ' ' ARG . 62.6 t -60.9 -48.1 90.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.605 ' N ' HG12 ' A' ' 27' ' ' VAL . . . 163.02 -158.19 30.44 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -105.08 161.46 14.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.905 0.384 . . . . 0.0 110.855 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -107.74 -143.88 11.03 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.522 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.541 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -103.91 121.84 46.51 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.584 0.707 . . . . 0.0 111.139 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 160.41 49.81 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.693 2.262 . . . . 0.0 112.356 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.624 HD11 ' HG2' ' A' ' 31' ' ' PRO . 9.2 mt -109.74 165.25 11.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.452 ' O ' ' CD ' ' A' ' 112' ' ' GLU . 7.7 m-85 -121.85 123.42 41.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.524 ' OE1' HD23 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -132.5 167.42 20.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.935 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.1 m -142.26 143.57 32.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.663 ' HB1' ' HB3' ' A' ' 38' ' ' PRO . . . -155.63 120.27 4.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.096 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 61.2 t -97.86 106.55 18.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.0 p -49.67 140.36 11.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -71.79 155.02 92.67 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.602 0.715 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 116.48 4.57 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.707 2.272 . . . . 0.0 112.33 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.419 ' CG ' ' O ' ' A' ' 119' ' ' HIS . 55.3 t60 -81.57 45.61 0.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.83 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 76.9 p -101.05 39.16 1.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 31.8 m -121.65 167.48 12.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 103.14 64.73 0.71 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.464 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -176.36 1.46 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.691 2.261 . . . . 0.0 112.35 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.8 t -99.09 40.61 1.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 29.4 p -89.43 -60.96 1.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.995 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.0 p -53.58 -44.47 69.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.893 0.378 . . . . 0.0 110.854 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 t -78.6 169.5 18.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.45 135.72 1.93 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t -154.64 120.03 5.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.881 0.372 . . . . 0.0 110.849 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -79.73 -60.26 2.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.838 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.73 85.59 1.32 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.468 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 156.58 62.87 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.691 2.261 . . . . 0.0 112.302 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -152.83 -177.85 6.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.112 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 35.1 m -145.41 116.37 7.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.1 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -99.07 160.73 14.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 14.4 m95 -56.44 122.1 11.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -128.42 167.57 16.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 98.9 p -74.56 84.82 2.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.23 141.71 47.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -107.84 39.76 1.87 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.7 m -125.28 128.24 47.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.143 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -131.35 118.99 21.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -83.54 148.59 27.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 t -86.16 52.56 2.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.824 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -126.52 47.77 2.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -117.23 163.39 16.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -75.4 105.73 6.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.813 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.434 ' CG ' ' OD1' ' A' ' 103' ' ' ASN . 64.8 tt0 -127.42 37.54 4.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 59.4 p -111.87 -16.09 13.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.7 ptt-85 -133.2 157.41 45.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.569 HG12 ' CA ' ' A' ' 105' ' ' GLY . 21.1 m -70.93 152.88 94.96 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.673 0.749 . . . . 0.0 111.087 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.618 ' HA ' HG21 ' A' ' 55' ' ' ILE . 54.3 Cg_endo -69.68 105.54 1.49 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.631 2.221 . . . . 0.0 112.402 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 30' ' ' VAL . 9.1 mt-10 -52.75 153.56 3.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.886 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.67 HG23 ' HD2' ' A' ' 31' ' ' PRO . 5.7 p -33.45 138.62 0.26 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.643 0.735 . . . . 0.0 111.128 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.67 ' HD2' HG23 ' A' ' 30' ' ' VAL . 53.5 Cg_endo -69.76 171.42 14.49 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.251 . . . . 0.0 112.307 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.2 m -53.24 -47.52 68.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.7 t -174.56 -175.38 0.93 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.846 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.414 HD22 ' HB3' ' A' ' 98' ' ' LEU . 2.3 tp -149.77 114.07 5.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.628 ' C ' ' CD2' ' A' ' 35' ' ' HIS . 0.2 OUTLIER -99.0 148.13 24.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.861 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.516 ' N ' ' CD2' ' A' ' 35' ' ' HIS . 5.5 m -141.33 145.43 24.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.7 ttt85 -129.01 107.94 18.09 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.591 0.71 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 123.52 10.2 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.664 2.243 . . . . 0.0 112.374 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.47 ' O ' ' C ' ' A' ' 40' ' ' VAL . 4.6 mp -116.14 154.33 30.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.581 HG12 HG23 ' A' ' 41' ' ' THR . 99.0 t -31.6 -70.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.581 HG23 HG12 ' A' ' 40' ' ' VAL . 35.8 p -118.8 22.21 12.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.493 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 0.8 OUTLIER -146.82 -177.98 5.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.814 -179.845 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.493 ' CG1' ' O ' ' A' ' 42' ' ' SER . 23.3 mt -160.16 106.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.106 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.454 HG23 HD13 ' A' ' 39' ' ' LEU . 59.7 t -79.36 97.69 2.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.112 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.7 t -86.02 103.28 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.115 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -108.55 122.47 47.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.694 ' CB ' HD22 ' A' ' 98' ' ' LEU . 43.2 p90 -122.63 -175.71 3.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.943 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.95 154.86 68.9 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.572 0.701 . . . . 0.0 111.102 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 156.72 62.61 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.658 2.239 . . . . 0.0 112.326 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.475 ' O ' ' N ' ' A' ' 52' ' ' ASN . 53.1 Cg_endo -69.87 123.28 9.91 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.675 2.25 . . . . 0.0 112.336 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 50' ' ' PRO . 21.2 mt-10 -36.75 -30.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' A' ' 50' ' ' PRO . 18.0 t-20 -88.12 101.03 13.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.4 ' CA ' HE21 ' A' ' 53' ' ' GLN . 0.0 OUTLIER -80.62 -34.05 35.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -38.97 -35.69 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.618 HG21 ' HA ' ' A' ' 28' ' ' PRO . 31.1 mt -75.98 146.23 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.164 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.7 t -92.4 141.22 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.201 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.571 HG12 ' H ' ' A' ' 59' ' ' GLY . 3.5 t -137.58 132.14 44.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -107.36 22.13 16.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.571 ' H ' HG12 ' A' ' 57' ' ' VAL . . . 126.5 179.61 15.84 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.493 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.427 ' CE1' ' HA ' ' A' ' 78' ' ' TYR . 2.8 m-85 -129.65 162.77 27.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.896 0.379 . . . . 0.0 110.9 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -115.07 110.61 19.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.11 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 34.0 mt -91.45 132.08 36.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.141 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -130.52 119.94 2.88 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.529 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.461 ' CZ ' ' HB2' ' A' ' 72' ' ' GLN . 6.0 p90 -120.69 159.27 25.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.926 0.393 . . . . 0.0 110.938 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 159.85 129.16 1.02 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.447 HD11 ' CZ ' ' A' ' 94' ' ' TYR . 17.7 mt -51.92 110.82 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 111.105 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.15 -53.84 4.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.475 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.7 m -122.57 121.11 27.67 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.661 0.743 . . . . 0.0 110.865 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -3.3 11.76 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.682 2.255 . . . . 0.0 112.335 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 -77.64 47.54 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -114.93 -54.71 2.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.067 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.461 ' HB2' ' CZ ' ' A' ' 64' ' ' TYR . 3.3 mp0 -139.67 154.11 47.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.1 m -136.05 128.37 30.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 86.3 mt -118.36 114.54 45.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.084 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.468 ' HD2' ' CE2' ' A' ' 101' ' ' PHE . 26.6 mmtm -99.01 119.34 37.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.8 m -129.28 147.97 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.1 p30 -48.14 150.92 1.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.473 ' CD1' ' N ' ' A' ' 79' ' ' LYS . 32.0 p90 -52.93 -44.36 66.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.958 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.473 ' N ' ' CD1' ' A' ' 78' ' ' TYR . 30.1 mtpt -41.03 -47.57 3.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.923 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -48.68 121.29 4.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -90.47 -36.63 14.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.519 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 55.9 p90 -145.07 167.04 23.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.951 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -140.43 144.36 36.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.973 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 78.8 m -106.53 106.89 17.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.145 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 35.2 mt -89.16 111.6 23.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -107.89 173.98 6.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 24.3 m-20 71.22 43.95 0.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 30.9 mt -112.24 174.01 6.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -98.24 120.97 58.44 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.591 0.71 . . . . 0.0 110.859 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 153.59 68.34 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.66 2.24 . . . . 0.0 112.338 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.4 t 65.71 48.48 1.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.845 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.3 m -156.81 139.5 15.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -81.46 132.56 35.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.841 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.56 ' O ' HD12 ' A' ' 96' ' ' ILE . 41.1 m-85 -125.84 122.96 37.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 59.7 t -83.45 110.44 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.111 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.56 HD12 ' O ' ' A' ' 94' ' ' TYR . 4.5 mp -98.8 141.47 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.143 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.481 HG22 ' O ' ' A' ' 110' ' ' LEU . 32.4 p -133.46 151.25 51.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.121 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.694 HD22 ' CB ' ' A' ' 47' ' ' TRP . 5.3 tp -142.98 136.95 28.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -150.37 135.48 17.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -81.71 147.84 29.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.076 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.468 ' CE2' ' HD2' ' A' ' 75' ' ' LYS . 16.2 p90 -142.76 151.67 41.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.412 ' CG ' ' HD3' ' A' ' 28' ' ' PRO . 47.6 p-10 -147.34 -176.77 5.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.434 ' OD1' ' CG ' ' A' ' 24' ' ' GLU . 8.4 p-10 -45.97 -38.5 7.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 74.0 t -71.7 -48.19 53.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.119 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.569 ' CA ' HG12 ' A' ' 27' ' ' VAL . . . 159.21 -160.94 31.69 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -112.53 160.83 17.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.902 0.382 . . . . 0.0 110.897 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -103.71 -136.14 8.85 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.441 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 1.3 mm -98.44 126.64 38.72 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.644 0.735 . . . . 0.0 111.139 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -176.29 1.43 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.707 2.271 . . . . 0.0 112.38 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.58 HD21 ' CG2' ' A' ' 30' ' ' VAL . 80.8 mt -131.22 150.26 52.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -108.86 134.41 51.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -140.52 178.26 7.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 78.6 p -141.46 137.76 32.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -149.59 119.12 6.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 99.8 t -104.43 103.66 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 16.6 p -52.13 139.98 22.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.155 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -65.85 155.3 86.94 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.588 0.709 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 127.8 15.13 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.672 2.248 . . . . 0.0 112.386 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 22.4 t60 -105.43 100.85 10.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 63.8 p -52.34 93.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 89.3 p -70.31 177.54 3.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 74.22 168.58 18.91 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.463 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 92.56 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.644 2.229 . . . . 0.0 112.335 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.1 t -81.66 139.18 35.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 77.5 p -171.76 169.81 5.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.828 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.443 -179.974 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.3 p -172.39 174.72 3.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.371 . . . . 0.0 110.855 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.8 p -168.08 172.68 8.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.92 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.85 123.86 7.89 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.54 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.1 t -171.67 162.67 6.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.867 0.365 . . . . 0.0 110.852 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 t -171.71 162.93 6.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.813 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.19 120.97 1.53 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.457 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -175.59 1.22 Allowed 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.683 2.255 . . . . 0.0 112.353 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -103.98 164.08 11.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.101 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.0 p -129.5 123.71 32.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.181 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -153.66 166.32 33.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 3.2 m-90 -111.07 42.14 1.69 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.6 mp 45.09 41.45 5.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.2 t -162.6 145.03 10.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -174.53 119.52 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.084 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -160.76 120.76 2.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 41.1 p -118.41 38.18 3.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.084 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 28.9 p90 -158.47 122.09 3.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -99.12 156.27 17.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 91.3 p -63.31 -40.03 96.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 22' ' ' LEU . 54.9 m-20 -40.37 -42.21 1.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.888 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.467 ' CD2' ' HA ' ' A' ' 54' ' ' ASN . 79.8 mt -35.42 144.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -89.48 115.73 27.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.402 ' HB2' HG21 ' A' ' 56' ' ' VAL . 25.0 tt0 -117.79 29.03 8.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.4 p -104.48 -10.09 17.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.082 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -124.65 170.49 10.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.847 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.6 m -99.52 145.98 31.01 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.622 0.725 . . . . 0.0 111.161 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 102.18 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 30' ' ' VAL . 1.7 pp20? -56.99 169.02 0.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.675 HG23 ' HD2' ' A' ' 31' ' ' PRO . 4.3 p -34.06 138.77 0.3 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.57 0.7 . . . . 0.0 111.191 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.675 ' HD2' HG23 ' A' ' 30' ' ' VAL . 53.1 Cg_endo -69.76 173.24 11.26 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.695 2.263 . . . . 0.0 112.322 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.2 m -53.65 -45.01 70.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 m -174.67 -177.92 1.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.823 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.6 tp -153.21 116.23 4.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.964 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -102.82 148.48 25.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.808 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.3 m -139.96 139.21 37.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.403 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 55.3 ttt180 -125.48 109.69 26.14 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.59 0.71 . . . . 0.0 110.872 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 37' ' ' ARG . 54.2 Cg_endo -69.65 129.23 17.36 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.69 2.26 . . . . 0.0 112.372 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.483 ' O ' ' C ' ' A' ' 40' ' ' VAL . 4.4 mp -120.43 154.21 35.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.534 HG12 HG23 ' A' ' 41' ' ' THR . 58.0 t -30.63 -69.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.534 HG23 HG12 ' A' ' 40' ' ' VAL . 30.3 p -120.9 22.6 11.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.165 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.419 ' C ' ' HB2' ' A' ' 39' ' ' LEU . 6.4 p -145.69 -179.35 6.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.829 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.512 HG13 HD12 ' A' ' 88' ' ' LEU . 46.8 mt -157.12 106.7 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.134 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.466 HG23 HD13 ' A' ' 39' ' ' LEU . 87.8 t -78.92 97.69 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.4 t -90.58 100.84 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.0 t -106.42 126.38 52.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.486 ' CB ' HD22 ' A' ' 98' ' ' LEU . 47.2 p90 -124.68 -174.99 3.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.961 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.78 158.59 56.07 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.587 0.708 . . . . 0.0 111.126 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 166.55 27.16 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.705 2.27 . . . . 0.0 112.343 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.422 ' O ' ' N ' ' A' ' 52' ' ' ASN . 54.6 Cg_endo -69.72 134.35 27.84 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.636 2.224 . . . . 0.0 112.373 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -38.33 -31.02 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.554 ' CG ' ' ND2' ' A' ' 54' ' ' ASN . 9.7 t-20 -95.81 162.27 13.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.893 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.506 ' O ' ' N ' ' A' ' 55' ' ' ILE . 17.5 mm100 -125.24 -42.67 1.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.597 HD22 ' N ' ' A' ' 54' ' ' ASN . 0.0 OUTLIER -36.75 -29.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.506 ' N ' ' O ' ' A' ' 53' ' ' GLN . 59.3 mt -77.79 137.48 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.402 HG21 ' HB2' ' A' ' 24' ' ' GLU . 81.7 t -78.21 130.13 36.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.116 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.0 t -124.4 125.83 70.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -96.84 -39.23 9.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 179.66 -160.72 26.12 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.468 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.432 ' CE2' ' HA ' ' A' ' 78' ' ' TYR . 1.2 m-85 -146.36 152.46 39.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.862 0.363 . . . . 0.0 110.934 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.491 ' HB3' ' HG2' ' A' ' 99' ' ' LYS . . . -105.23 124.94 50.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.4 HD11 ' CH2' ' A' ' 47' ' ' TRP . 22.3 mt -106.77 116.52 50.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -114.13 129.41 8.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.508 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 48.7 p90 -136.31 164.04 29.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.925 0.393 . . . . 0.0 110.955 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 150.17 161.93 10.2 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.521 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.428 HD11 ' CZ ' ' A' ' 94' ' ' TYR . 46.5 mm -73.23 114.23 12.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.829 0.347 . . . . 0.0 111.152 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.56 -55.41 3.1 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.539 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 72.8 m -137.12 144.59 46.68 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.651 0.739 . . . . 0.0 110.88 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 70' ' ' HIS . 53.5 Cg_endo -69.72 -32.07 19.46 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.674 2.25 . . . . 0.0 112.333 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.422 ' C ' ' O ' ' A' ' 69' ' ' PRO . 52.2 m-70 -36.19 -35.6 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 70' ' ' HIS . . . -36.37 -60.39 0.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.0 mp0 -135.13 151.72 50.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 87.2 m -142.87 135.55 27.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.125 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 45.3 mt -122.12 136.64 58.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.168 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.482 ' HD2' ' CZ ' ' A' ' 101' ' ' PHE . 17.7 mmtp -119.3 125.29 48.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.7 m -137.78 167.01 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.091 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -67.67 174.97 3.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.481 ' CE1' ' HD2' ' A' ' 79' ' ' LYS . 16.0 p90 -71.02 -35.93 72.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.973 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.481 ' HD2' ' CE1' ' A' ' 78' ' ' TYR . 0.2 OUTLIER -44.31 -49.84 9.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.892 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -51.69 115.66 1.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.87 -29.45 18.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 14.5 p90 -149.71 162.82 39.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -137.2 132.15 33.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 92.1 m -98.15 102.46 14.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.162 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 45.0 mt -83.05 111.99 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -111.08 176.79 4.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 68.46 46.7 1.0 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.512 HD12 HG13 ' A' ' 43' ' ' ILE . 92.4 mt -115.04 177.17 4.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -103.31 122.02 46.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.581 0.705 . . . . 0.0 110.853 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 148.56 64.89 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.7 2.267 . . . . 0.0 112.332 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.9 t 74.47 42.88 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 68.6 m -148.3 156.53 42.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -99.84 124.35 45.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.473 ' O ' HD12 ' A' ' 96' ' ' ILE . 69.5 m-85 -116.71 125.74 52.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 84.6 t -86.74 107.47 16.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.473 HD12 ' O ' ' A' ' 94' ' ' TYR . 4.8 mp -95.31 136.37 26.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.602 HG22 ' O ' ' A' ' 110' ' ' LEU . 41.5 p -128.36 160.51 31.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.163 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.486 HD22 ' CB ' ' A' ' 47' ' ' TRP . 10.1 tp -149.69 132.15 15.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.491 ' HG2' ' HB3' ' A' ' 61' ' ' ALA . 9.6 ptpp? -141.84 132.88 26.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.88 128.31 36.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.078 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.482 ' CZ ' ' HD2' ' A' ' 75' ' ' LYS . 25.7 p90 -136.32 143.8 44.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 52.5 p-10 -130.77 -175.25 3.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -43.98 -34.24 1.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 26.2 t -71.15 -46.37 66.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 158.64 -167.84 34.74 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.08 161.05 14.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.879 0.371 . . . . 0.0 110.918 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -107.38 -130.94 6.51 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.496 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -106.72 123.98 36.93 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.619 0.723 . . . . 0.0 111.146 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 167.9 23.1 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.684 2.256 . . . . 0.0 112.361 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.602 ' O ' HG22 ' A' ' 97' ' ' THR . 19.9 mt -109.64 179.81 4.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -141.37 126.57 18.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -135.69 -177.62 4.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 44.4 p -141.94 138.92 32.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -151.13 111.48 4.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.109 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 96.2 t -102.21 101.7 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 38.5 p -51.2 130.35 26.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 89.1 mtt-85 -56.14 153.39 18.6 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.64 0.733 . . . . 0.0 110.823 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 119' ' ' HIS . 53.8 Cg_endo -69.73 103.17 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.652 2.235 . . . . 0.0 112.366 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.442 ' C ' ' O ' ' A' ' 118' ' ' PRO . 26.4 t-80 -34.81 105.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.836 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 2.9 t -80.73 142.63 33.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.147 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 72.8 m -95.15 -46.02 6.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 61.57 65.6 3.15 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 100.33 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.67 2.246 . . . . 0.0 112.341 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 14.6 t -170.87 146.91 2.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.824 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 42.5 m -162.94 121.75 2.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.844 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.527 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.4 m -145.77 145.79 30.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.815 0.341 . . . . 0.0 110.893 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -162.26 170.59 18.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.34 149.89 19.57 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.467 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -165.08 160.48 18.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.893 0.378 . . . . 0.0 110.858 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t 71.58 42.4 0.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.17 127.82 9.37 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.472 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 129.39 17.54 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.675 2.25 . . . . 0.0 112.329 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -139.21 105.14 5.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.4 m -100.75 96.83 7.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -66.04 116.3 7.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.897 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 70.9 m95 -63.37 166.54 6.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.412 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.2 pt? -118.39 144.95 45.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.952 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 31.7 t -67.83 131.14 44.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -171.68 121.99 0.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -58.38 128.5 37.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.9 p -110.15 90.33 3.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.113 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -73.6 169.06 18.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.88 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.48 134.73 50.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.3 m -82.48 58.06 3.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.42 ' C ' HD12 ' A' ' 22' ' ' LEU . 20.5 t70 -174.2 111.74 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.42 HD12 ' C ' ' A' ' 21' ' ' ASP . 5.3 mp -137.99 174.34 10.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -93.81 99.89 12.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.509 ' HB2' HG21 ' A' ' 56' ' ' VAL . 16.6 tt0 -125.29 31.3 5.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 57.5 p -104.91 -15.73 15.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.147 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.676 ' HA ' HG11 ' A' ' 104' ' ' VAL . 0.0 OUTLIER -131.25 157.23 43.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.488 HG12 ' N ' ' A' ' 105' ' ' GLY . 20.1 m -70.93 148.45 94.59 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.65 0.738 . . . . 0.0 111.161 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.447 ' HG2' ' C ' ' A' ' 100' ' ' ALA . 53.3 Cg_endo -69.76 99.56 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.711 2.274 . . . . 0.0 112.355 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.547 ' OE2' HD13 ' A' ' 55' ' ' ILE . 0.4 OUTLIER -51.28 161.69 0.41 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.893 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.689 HG23 ' HD2' ' A' ' 31' ' ' PRO . 4.9 p -33.94 139.0 0.28 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.607 0.718 . . . . 0.0 111.142 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.689 ' HD2' HG23 ' A' ' 30' ' ' VAL . 53.6 Cg_endo -69.76 178.36 4.65 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.663 2.242 . . . . 0.0 112.353 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.0 t -58.43 -44.44 89.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.818 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 58.9 p -175.3 177.37 1.87 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.636 ' HB3' HD13 ' A' ' 110' ' ' LEU . 1.6 tp -141.98 128.96 20.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.637 ' C ' ' CD2' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -117.86 144.83 45.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.863 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.468 HG11 HG21 ' A' ' 96' ' ' ILE . 16.1 m -143.87 135.66 22.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.084 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -117.6 109.84 41.3 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.6 0.714 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 124.77 11.44 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.726 2.284 . . . . 0.0 112.355 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.474 ' O ' ' C ' ' A' ' 40' ' ' VAL . 4.4 mp -118.76 154.41 32.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.474 ' C ' ' O ' ' A' ' 39' ' ' LEU . 18.9 t -31.45 -71.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.6 p -117.73 24.44 11.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.43 ' C ' HG13 ' A' ' 43' ' ' ILE . 22.9 p -148.19 178.68 8.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.43 HG13 ' C ' ' A' ' 42' ' ' SER . 65.1 mt -156.96 105.03 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.418 HG23 HD13 ' A' ' 39' ' ' LEU . 95.5 t -76.89 100.01 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.103 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.3 t -89.84 109.61 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.129 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.544 ' OG ' ' CD2' ' A' ' 35' ' ' HIS . 2.7 p -113.14 117.31 31.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.585 ' CB ' HD22 ' A' ' 98' ' ' LEU . 47.1 p90 -117.81 172.87 7.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 40.3 p -133.29 153.47 80.63 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.581 0.705 . . . . 0.0 111.116 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 163.21 39.14 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 51' ' ' GLU . 54.0 Cg_endo -69.76 123.7 10.36 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.668 2.245 . . . . 0.0 112.357 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -34.54 -36.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.481 ' HB3' HD12 ' A' ' 55' ' ' ILE . 28.2 t-20 -91.0 84.41 5.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.924 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -60.63 -36.21 78.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -38.63 -32.64 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.547 HD13 ' OE2' ' A' ' 29' ' ' GLU . 21.2 mt -75.94 131.3 35.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.509 HG21 ' HB2' ' A' ' 24' ' ' GLU . 93.6 t -67.19 135.98 27.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.183 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.8 t -134.15 102.66 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.416 ' HB3' ' NH1' ' A' ' 58' ' ' ARG . 4.3 mmm180 -69.48 -35.55 75.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 176.58 -171.79 44.75 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.462 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.469 ' HB3' HD11 ' A' ' 98' ' ' LEU . 12.9 m-85 -131.27 156.7 44.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.896 0.379 . . . . 0.0 110.945 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.402 ' HB3' ' CG ' ' A' ' 99' ' ' LYS . . . -119.08 118.6 31.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.062 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.552 HD11 ' CZ3' ' A' ' 47' ' ' TRP . 68.7 mt -98.9 146.97 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.132 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -136.35 138.46 9.88 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.466 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -144.94 167.34 22.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.902 0.382 . . . . 0.0 110.918 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 155.78 162.27 11.23 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.5 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.855 HD11 ' CZ ' ' A' ' 94' ' ' TYR . 34.1 mm -79.75 98.75 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.901 0.382 . . . . 0.0 111.132 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.4 -40.51 2.4 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.442 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.4 m -147.13 141.35 15.8 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.682 0.754 . . . . 0.0 110.848 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.482 ' O ' ' N ' ' A' ' 71' ' ' ALA . 53.3 Cg_endo -69.77 -40.05 5.77 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.68 2.253 . . . . 0.0 112.353 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.429 ' H ' ' CD2' ' A' ' 70' ' ' HIS . 37.9 m-70 -36.85 -29.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 69' ' ' PRO . . . -42.74 -60.66 1.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.067 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -131.78 153.55 50.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 36.6 m -142.92 134.36 26.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.105 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 69.8 mt -122.89 131.36 73.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.8 mttm -117.87 112.98 21.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 34.3 m -117.49 173.66 4.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.084 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -68.15 150.12 48.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 49.3 p90 -54.8 -48.82 72.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 59.7 mttt -37.96 -43.88 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.947 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -54.28 117.26 3.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -85.29 -32.85 22.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.472 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 7.3 p90 -147.01 167.99 22.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -139.81 144.05 37.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 90.4 m -110.64 104.15 12.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.146 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.514 ' CG2' HD11 ' A' ' 88' ' ' LEU . 33.4 mt -87.33 114.2 25.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.105 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -106.85 -179.17 3.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.879 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 60.81 50.51 5.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.514 HD11 ' CG2' ' A' ' 85' ' ' ILE . 33.6 mt -123.36 156.06 36.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -79.26 121.23 82.77 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.553 0.692 . . . . 0.0 110.879 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 179.14 3.9 Favored 'Trans proline' 0 C--N 1.34 0.114 0 C-N-CA 122.677 2.251 . . . . 0.0 112.326 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.5 p 42.24 51.37 4.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.847 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.3 m -151.51 141.37 21.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -81.03 122.84 27.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.855 ' CZ ' HD11 ' A' ' 66' ' ' ILE . 21.4 m-85 -117.22 135.06 54.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.944 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 98.4 t -98.34 106.62 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.468 HG21 HG11 ' A' ' 36' ' ' VAL . 3.2 mp -95.12 138.46 20.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.631 HG22 ' O ' ' A' ' 110' ' ' LEU . 66.4 p -135.37 157.7 46.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.089 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.585 HD22 ' CB ' ' A' ' 47' ' ' TRP . 9.3 tp -144.83 132.94 21.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.402 ' CG ' ' HB3' ' A' ' 61' ' ' ALA . 14.9 ptpt -135.69 133.75 38.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.447 ' C ' ' HG2' ' A' ' 28' ' ' PRO . . . -85.71 128.97 34.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.091 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -130.95 154.46 48.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.435 ' CG ' ' HD3' ' A' ' 28' ' ' PRO . 26.8 p-10 -152.01 -175.03 5.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -49.42 -38.55 29.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.676 HG11 ' HA ' ' A' ' 26' ' ' ARG . 39.0 t -61.99 -49.78 82.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.488 ' N ' HG12 ' A' ' 27' ' ' VAL . . . 170.68 -133.03 2.65 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.448 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -129.15 155.66 45.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.887 0.375 . . . . 0.0 110.891 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -102.79 -150.82 22.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.465 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.513 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -101.88 126.2 34.62 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.629 0.728 . . . . 0.0 111.12 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.41 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 54.3 Cg_endo -69.72 166.18 28.43 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.337 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.65 HD11 ' HG2' ' A' ' 31' ' ' PRO . 10.1 mt -108.96 179.12 4.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -140.25 114.52 9.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -129.4 175.53 8.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.6 p -133.0 140.17 47.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -150.04 111.48 4.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.085 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 57.8 t -98.46 106.8 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.131 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 58.2 p -49.82 125.46 11.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.137 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -44.63 153.42 0.47 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.575 0.703 . . . . 0.0 110.848 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 102.82 1.07 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.703 2.268 . . . . 0.0 112.316 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -84.45 -55.56 4.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.865 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.448 ' O ' HG23 ' A' ' 120' ' ' THR . 9.4 t -76.28 49.8 0.6 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 43.0 t -95.71 125.84 40.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -94.91 -118.35 3.14 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.517 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 168.56 21.22 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.659 2.239 . . . . 0.0 112.394 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 4.3 t -104.01 163.2 12.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 51.6 p -57.87 -44.71 86.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.52 -179.968 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.1 m -158.11 122.68 4.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.904 0.383 . . . . 0.0 110.869 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.0 m -157.74 173.8 16.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.26 57.71 0.13 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.541 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.4 t -63.91 -34.73 78.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.92 0.391 . . . . 0.0 110.915 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.0 m 56.37 42.71 27.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.42 149.33 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 178.28 4.7 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.69 2.26 . . . . 0.0 112.342 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -151.23 108.68 3.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.071 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 56.4 p -140.77 116.16 10.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -134.25 85.05 2.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.451 ' CD1' ' N ' ' A' ' 12' ' ' TRP . 0.0 OUTLIER -130.5 79.49 1.9 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.9 mt -110.42 92.33 4.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.4 p -129.87 47.32 2.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.34 47.29 1.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.079 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -117.93 72.59 0.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.8 m -154.61 130.44 10.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.125 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -106.0 162.18 13.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -86.95 151.48 23.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.5 m -80.48 43.57 0.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -125.08 44.28 2.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -90.74 161.79 15.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -82.91 116.26 22.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.449 ' CD ' ' O ' ' A' ' 24' ' ' GLU . 5.5 tm-20 -128.15 33.85 4.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.4 p -99.57 -12.26 20.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.148 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.62 ' HA ' HG11 ' A' ' 104' ' ' VAL . 8.5 ptm180 -141.69 153.86 44.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.567 HG12 ' N ' ' A' ' 105' ' ' GLY . 33.1 m -71.09 151.8 94.78 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.624 0.726 . . . . 0.0 111.108 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.637 ' HA ' HG21 ' A' ' 55' ' ' ILE . 53.6 Cg_endo -69.76 109.05 2.21 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.7 2.266 . . . . 0.0 112.316 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 30' ' ' VAL . 9.5 mt-10 -56.56 158.65 4.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.656 HG23 ' HD2' ' A' ' 31' ' ' PRO . 4.2 p -34.69 138.15 0.35 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.665 0.745 . . . . 0.0 111.095 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.656 ' HD2' HG23 ' A' ' 30' ' ' VAL . 54.3 Cg_endo -69.77 166.89 26.09 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.725 2.283 . . . . 0.0 112.339 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.5 p -48.31 -48.63 35.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.84 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 83.4 p -173.82 -176.02 1.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.6 tp -152.88 112.48 3.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -96.75 147.73 23.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.509 HG11 ' HB ' ' A' ' 96' ' ' ILE . 4.0 m -137.4 131.81 44.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.402 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 52.5 ttt180 -117.85 110.11 40.54 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.586 0.707 . . . . 0.0 110.854 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 37' ' ' ARG . 53.5 Cg_endo -69.82 128.08 15.47 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.32 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.613 ' O ' HG22 ' A' ' 116' ' ' THR . 2.7 mp -120.67 154.47 35.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.595 HG12 HG23 ' A' ' 41' ' ' THR . 60.6 t -29.65 -71.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.595 HG23 HG12 ' A' ' 40' ' ' VAL . 40.2 p -119.71 24.94 10.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.125 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.446 ' C ' HG13 ' A' ' 43' ' ' ILE . 2.6 m -149.33 -178.76 6.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.446 HG13 ' C ' ' A' ' 42' ' ' SER . 60.5 mt -157.73 105.85 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.519 HG23 HD13 ' A' ' 39' ' ' LEU . 93.5 t -74.47 96.03 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.9 t -86.24 100.11 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.7 t -105.45 127.18 52.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.83 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.463 ' CZ3' HD11 ' A' ' 62' ' ' ILE . 44.1 p90 -128.28 -174.93 3.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -142.4 159.92 56.23 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.592 0.711 . . . . 0.0 111.145 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 161.35 46.26 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.402 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 51' ' ' GLU . 53.3 Cg_endo -69.78 129.09 16.97 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.64 2.227 . . . . 0.0 112.34 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 50' ' ' PRO . 2.0 tt0 -34.77 -40.45 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -91.86 106.43 18.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.957 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -77.55 -32.36 53.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -38.66 -43.09 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.637 HG21 ' HA ' ' A' ' 28' ' ' PRO . 56.4 mt -68.38 124.35 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 90.1 t -65.91 138.62 22.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.064 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.458 HG11 ' CZ ' ' A' ' 60' ' ' TYR . 96.7 t -130.03 107.82 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.089 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.495 ' NE ' ' OD1' ' A' ' 103' ' ' ASN . 18.6 mmt180 -74.55 -32.72 62.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 179.17 -169.7 41.07 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.493 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.458 ' CZ ' HG11 ' A' ' 57' ' ' VAL . 15.9 m-85 -135.68 152.09 50.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.844 0.355 . . . . 0.0 110.939 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -117.95 123.72 46.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.119 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.463 HD11 ' CZ3' ' A' ' 47' ' ' TRP . 42.9 mt -108.16 141.2 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.11 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -135.35 121.54 2.58 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -116.0 170.93 8.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.951 0.405 . . . . 0.0 110.913 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 148.74 125.34 1.44 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.533 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.566 HG13 ' CE2' ' A' ' 94' ' ' TYR . 27.7 mt -47.91 118.03 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.857 0.36 . . . . 0.0 111.167 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.78 -58.66 2.59 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.46 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.3 m -116.2 119.47 36.57 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.666 0.745 . . . . 0.0 110.852 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 1.5 4.37 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.676 2.25 . . . . 0.0 112.325 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -81.87 44.4 0.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.834 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -107.75 -54.53 2.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.104 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -145.23 147.14 32.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.6 m -120.06 135.8 54.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 24.8 mt -129.25 108.5 16.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.143 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.9 mtmt -99.97 112.84 25.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.8 m -108.36 158.51 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.164 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -51.96 179.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 37.5 p90 -83.18 -22.43 33.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.935 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.0 mmtt -82.51 39.21 0.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.404 ' HA ' ' NE2' ' A' ' 80' ' ' GLN . 6.8 mm100 -126.07 122.29 35.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -91.43 -33.67 15.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.413 ' HA ' ' CZ3' ' A' ' 47' ' ' TRP . 6.1 p90 -148.52 169.29 20.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -141.3 128.62 21.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 48.1 m -90.91 102.65 15.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.139 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 62.7 mt -85.61 105.69 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -103.25 174.44 5.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 74.53 45.0 0.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 56.0 mt -121.18 157.05 31.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -87.78 129.96 48.62 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.647 0.737 . . . . 0.0 110.841 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.413 ' HA ' ' OG1' ' A' ' 116' ' ' THR . 53.6 Cg_endo -69.74 145.62 57.8 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.719 2.279 . . . . 0.0 112.332 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.451 ' N ' ' OG1' ' A' ' 116' ' ' THR . 6.8 t 74.98 54.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.8 p -159.29 129.16 5.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -78.47 126.67 31.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.566 ' CE2' HG13 ' A' ' 66' ' ' ILE . 26.9 m-85 -117.19 138.03 51.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 99.8 t -95.58 101.87 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.14 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.509 ' HB ' HG11 ' A' ' 36' ' ' VAL . 4.5 mp -90.23 138.56 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.685 HG22 ' O ' ' A' ' 110' ' ' LEU . 35.7 p -132.81 154.19 50.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.459 HD22 ' CB ' ' A' ' 47' ' ' TRP . 4.6 tp -145.57 131.21 18.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.3 ptpt -134.91 133.35 39.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 107' ' ' GLY . . . -84.25 130.5 34.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.063 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -133.38 165.61 24.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 36.5 p-10 -165.19 -179.87 5.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.495 ' OD1' ' NE ' ' A' ' 58' ' ' ARG . 30.1 m120 -46.18 -34.07 4.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.62 HG11 ' HA ' ' A' ' 26' ' ' ARG . 30.1 t -65.95 -47.46 85.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.567 ' N ' HG12 ' A' ' 27' ' ' VAL . . . 171.69 -129.99 1.86 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.513 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.407 ' O ' HG21 ' A' ' 27' ' ' VAL . 20.4 mt-10 -131.5 167.53 19.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.88 0.371 . . . . 0.0 110.894 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 100' ' ' ALA . . . -115.94 -172.37 16.76 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.5 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 4.9 mm -84.64 125.55 71.03 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.649 0.738 . . . . 0.0 111.139 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.413 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 53.5 Cg_endo -69.75 161.29 46.52 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.694 2.263 . . . . 0.0 112.333 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.685 ' O ' HG22 ' A' ' 97' ' ' THR . 45.8 mt -112.49 158.89 19.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.929 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -118.71 127.3 53.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.914 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -137.47 178.48 7.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.937 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 66.2 p -140.6 138.47 34.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -163.79 115.42 1.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.086 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -109.77 119.9 59.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.158 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.613 HG22 ' O ' ' A' ' 39' ' ' LEU . 12.7 p -41.46 158.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.165 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 39.5 mtt-85 -88.35 159.18 47.93 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.621 0.724 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 106.62 1.7 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.704 2.269 . . . . 0.0 112.36 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -54.01 111.2 0.71 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 90.9 m -78.9 129.72 34.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 87.6 p -69.89 139.72 53.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 108.41 -178.43 21.16 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.486 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 171.61 14.17 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.701 2.267 . . . . 0.0 112.326 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 40.1 p -78.31 165.26 24.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.815 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 48.4 t -117.17 135.26 53.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.812 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.522 -179.972 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t 53.63 42.39 31.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.886 0.374 . . . . 0.0 110.894 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.1 t -109.26 91.81 3.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 49.03 -178.1 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.459 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.9 m -70.47 139.16 51.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.844 0.354 . . . . 0.0 110.888 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.9 m -90.67 112.44 24.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 47.3 83.96 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.527 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.561 ' O ' HG23 ' A' ' 10' ' ' THR . 53.7 Cg_endo -69.72 -9.88 27.22 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.68 2.253 . . . . 0.0 112.408 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -45.63 120.82 2.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.075 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.561 HG23 ' O ' ' A' ' 8' ' ' PRO . 30.9 p -131.58 137.86 48.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.158 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -119.35 159.12 24.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.819 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.1 p90 -142.25 155.31 45.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.925 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.624 HD12 ' N ' ' A' ' 14' ' ' SER . 4.6 tp -110.43 141.19 43.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.624 ' N ' HD12 ' A' ' 13' ' ' LEU . 43.7 m -66.47 88.69 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -157.86 173.96 16.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.134 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -137.3 177.53 7.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.2 m -141.47 137.83 32.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.176 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.546 ' CE2' HD21 ' A' ' 22' ' ' LEU . 6.9 p90 -89.3 -43.08 11.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.533 ' HA ' HD23 ' A' ' 22' ' ' LEU . 0.5 OUTLIER 36.65 41.19 0.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.884 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.0 t -95.39 -20.06 19.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -132.52 -1.52 3.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.822 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.546 HD21 ' CE2' ' A' ' 18' ' ' PHE . 4.6 mm? -63.09 166.79 5.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -113.77 89.75 3.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.827 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.454 ' O ' ' CG2' ' A' ' 104' ' ' VAL . 24.1 tt0 -112.83 23.58 13.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.4 p -99.16 -5.53 29.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.4 ptt180 -138.78 149.92 45.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.483 HG21 ' O ' ' A' ' 106' ' ' GLU . 28.2 m -73.09 152.25 90.57 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.606 0.717 . . . . 0.0 111.157 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.611 ' HA ' HG21 ' A' ' 55' ' ' ILE . 53.3 Cg_endo -69.79 119.68 6.59 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.631 2.221 . . . . 0.0 112.328 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 30' ' ' VAL . 9.6 mt-10 -70.45 165.53 22.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.458 ' CG2' HD21 ' A' ' 110' ' ' LEU . 4.4 p -34.58 132.75 0.42 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.625 0.726 . . . . 0.0 111.101 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.585 ' HG2' HD11 ' A' ' 110' ' ' LEU . 53.8 Cg_endo -69.8 170.98 15.34 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.4 t -49.14 -49.76 40.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.7 t -174.87 -177.07 1.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.876 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.434 HD22 ' HB3' ' A' ' 98' ' ' LEU . 2.7 tp -149.3 113.63 5.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.94 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -97.72 148.15 23.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.8 m -141.36 144.18 26.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.112 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.598 ' HG3' HD12 ' A' ' 39' ' ' LEU . 10.3 tpp180 -129.59 107.92 17.25 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.666 0.746 . . . . 0.0 110.85 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 37' ' ' ARG . 53.6 Cg_endo -69.74 127.67 14.94 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.694 2.263 . . . . 0.0 112.342 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.657 ' CD1' HG23 ' A' ' 44' ' ' VAL . 3.5 mp -122.18 154.55 37.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.472 ' C ' ' O ' ' A' ' 39' ' ' LEU . 11.3 t -31.58 -69.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.6 p -119.72 22.56 11.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.104 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.499 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 14.1 p -145.85 -179.94 7.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.499 ' CG1' ' O ' ' A' ' 42' ' ' SER . 23.5 mt -160.57 105.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.087 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.657 HG23 ' CD1' ' A' ' 39' ' ' LEU . 2.3 t -76.83 97.58 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 60.6 t -90.53 102.59 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.081 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.7 t -108.18 128.32 54.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.789 ' CZ3' HD11 ' A' ' 62' ' ' ILE . 46.1 p90 -126.2 -179.82 4.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.6 p -137.86 151.08 69.68 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.58 0.705 . . . . 0.0 111.093 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 157.74 59.26 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.659 2.239 . . . . 0.0 112.324 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.471 ' O ' ' N ' ' A' ' 52' ' ' ASN . 53.4 Cg_endo -69.78 118.06 5.46 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.683 2.256 . . . . 0.0 112.371 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 50' ' ' PRO . 34.0 mm-40 -38.08 -28.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.914 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 50' ' ' PRO . 11.9 t-20 -84.68 91.69 7.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.942 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -70.37 -31.54 68.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -42.27 -39.57 2.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.611 HG21 ' HA ' ' A' ' 28' ' ' PRO . 33.1 mt -77.14 117.78 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 35.8 t -66.88 131.84 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.124 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.8 t -123.68 136.78 59.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -100.44 -29.53 12.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.421 ' HA2' ' C ' ' A' ' 77' ' ' ASP . . . 174.14 -178.62 45.92 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.474 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.573 ' CE2' ' HA ' ' A' ' 78' ' ' TYR . 23.5 m-85 -127.92 164.57 21.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.856 0.36 . . . . 0.0 110.971 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.477 ' HB1' HG23 ' A' ' 73' ' ' THR . . . -127.45 128.13 45.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.093 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.789 HD11 ' CZ3' ' A' ' 47' ' ' TRP . 15.9 mt -110.59 112.44 40.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.149 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -102.11 128.12 9.45 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.451 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.511 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 9.3 p90 -132.7 151.13 52.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.963 0.411 . . . . 0.0 110.923 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 165.31 137.13 2.13 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.482 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.7 mt -62.09 105.65 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.942 0.401 . . . . 0.0 111.09 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.99 -48.29 0.96 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.5 m -148.48 142.09 15.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.683 0.754 . . . . 0.0 110.869 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 71' ' ' ALA . 52.9 Cg_endo -69.86 -35.81 11.67 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.703 2.269 . . . . 0.0 112.317 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 71' ' ' ALA . 49.7 m-70 -41.76 -24.65 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 64' ' ' TYR . . . -35.88 -57.79 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -146.4 167.69 22.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.477 HG23 ' HB1' ' A' ' 61' ' ' ALA . 100.0 m -135.48 127.26 29.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.17 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 94.3 mt -111.77 107.93 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.104 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.546 ' HE3' ' CZ ' ' A' ' 101' ' ' PHE . 6.2 mtpp -110.48 137.86 47.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.653 HG23 ' H ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -132.5 -77.24 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.896 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.653 ' H ' HG23 ' A' ' 76' ' ' VAL . 3.8 m-20 -175.4 -175.35 0.8 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.573 ' HA ' ' CE2' ' A' ' 60' ' ' TYR . 45.0 p90 -84.31 -23.09 30.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.937 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -71.07 -44.48 65.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.886 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -50.62 125.15 12.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -97.03 -35.43 10.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -144.86 160.44 41.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -139.22 132.64 30.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 88.0 m -92.11 110.98 22.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.174 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 39.9 mt -89.44 106.58 17.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.402 ' C ' ' ND2' ' A' ' 87' ' ' ASN . 41.8 mt-10 -103.04 171.64 7.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.402 ' ND2' ' C ' ' A' ' 86' ' ' GLU . 5.6 m-80 74.96 41.81 0.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 14.0 mt -119.15 158.79 25.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -90.8 136.26 27.98 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.562 0.696 . . . . 0.0 110.889 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 168.7 20.87 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.656 2.237 . . . . 0.0 112.312 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.7 m 46.31 53.23 9.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.5 m -148.11 133.69 18.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 15.4 t-160 -83.59 130.26 34.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.833 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -124.64 142.29 51.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 57.2 t -102.02 111.68 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.15 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 3.8 mp -100.2 131.44 47.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.808 HG22 ' O ' ' A' ' 110' ' ' LEU . 40.4 p -131.54 120.33 22.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.642 HD22 ' CB ' ' A' ' 47' ' ' TRP . 9.7 tp -107.86 139.47 42.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -140.71 148.61 41.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.446 ' C ' ' HG2' ' A' ' 28' ' ' PRO . . . -97.14 129.04 44.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.546 ' CZ ' ' HE3' ' A' ' 75' ' ' LYS . 31.6 p90 -137.27 136.12 37.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 51.9 p-10 -125.37 -174.9 3.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -55.4 -23.88 27.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.853 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.454 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 61.3 t -77.19 -41.6 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.169 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.41 ' N ' HG12 ' A' ' 27' ' ' VAL . . . 166.84 -153.68 23.56 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.472 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.483 ' O ' HG21 ' A' ' 27' ' ' VAL . 13.3 mt-10 -107.77 179.92 4.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.911 0.386 . . . . 0.0 110.897 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -129.2 -144.92 5.8 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.486 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.484 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -106.6 119.22 52.33 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.651 0.739 . . . . 0.0 111.098 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 164.22 35.36 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.662 2.241 . . . . 0.0 112.367 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.808 ' O ' HG22 ' A' ' 97' ' ' THR . 10.3 mt -109.09 -177.97 3.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.939 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -136.8 120.45 17.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -131.18 174.84 9.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 45.2 p -139.08 133.78 32.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -144.37 121.44 11.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 82.9 t -109.36 107.58 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 34.7 p -57.77 132.37 53.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.144 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 46.6 mtp180 -62.08 151.5 80.65 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.603 0.716 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 121.37 8.05 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.708 2.272 . . . . 0.0 112.374 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -57.59 141.35 48.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 45.4 p -140.66 119.29 12.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 42.0 t -101.47 87.75 3.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.41 ' HA2' ' HD2' ' A' ' 123' ' ' PRO . . . -164.93 98.31 0.15 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.493 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.41 ' HD2' ' HA2' ' A' ' 122' ' ' GLY . 54.1 Cg_endo -69.75 -28.48 25.23 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.653 2.236 . . . . 0.0 112.385 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.7 t -48.26 -55.98 9.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 38.9 m -94.97 150.01 20.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.84 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.478 -179.978 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -163.15 120.0 1.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.881 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.3 p -169.37 123.74 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.836 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.48 178.4 39.09 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.518 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 m -116.82 159.74 21.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.856 0.36 . . . . 0.0 110.838 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.5 p -96.29 176.15 6.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.42 89.01 0.42 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.509 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 150.43 68.04 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.665 2.243 . . . . 0.0 112.341 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.79 169.19 16.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.64 ' O ' HG23 ' A' ' 10' ' ' THR . 8.0 t -70.64 93.7 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -96.52 40.9 1.12 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.1 p90 -169.94 162.35 9.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -174.67 166.88 3.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 61.3 p -127.64 -53.31 1.35 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -100.98 145.34 28.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.075 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -110.34 110.16 20.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.3 t -165.19 156.06 14.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 25.5 p90 -166.07 157.27 13.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.696 ' HB3' HD11 ' A' ' 22' ' ' LEU . 51.5 mm-40 -85.12 -177.76 6.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.429 ' N ' HD21 ' A' ' 22' ' ' LEU . 11.3 t -156.46 129.61 8.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 71.12 53.63 0.24 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.696 HD11 ' HB3' ' A' ' 19' ' ' GLU . 0.4 OUTLIER -101.7 165.71 11.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.42 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.9 OUTLIER -91.0 125.15 35.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.77 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.492 ' O ' ' CG2' ' A' ' 104' ' ' VAL . 14.5 tt0 -123.97 28.31 6.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 65.7 p -101.07 -23.31 14.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.155 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.3 ptt-85 -120.5 145.67 47.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.46 HG12 ' N ' ' A' ' 105' ' ' GLY . 11.5 m -76.91 148.38 78.84 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.636 0.731 . . . . 0.0 111.133 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 101.96 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.713 2.276 . . . . 0.0 112.327 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -56.62 177.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.5 p -38.0 130.55 0.96 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.617 0.723 . . . . 0.0 111.147 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.423 ' HG2' ' CD1' ' A' ' 110' ' ' LEU . 54.0 Cg_endo -69.75 171.17 14.95 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.694 2.263 . . . . 0.0 112.357 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.5 t -45.92 -56.02 6.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.4 m -169.13 -176.26 2.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.451 HD22 ' HB3' ' A' ' 98' ' ' LEU . 4.6 tp -155.71 117.13 3.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 23.2 t-80 -107.44 142.76 36.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.683 HG11 ' HB ' ' A' ' 96' ' ' ILE . 27.9 m -132.55 130.12 59.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.419 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 3.8 tmt_? -112.16 107.97 55.39 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.575 0.702 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.528 ' HB3' ' HB1' ' A' ' 114' ' ' ALA . 53.8 Cg_endo -69.79 128.87 16.62 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.683 2.255 . . . . 0.0 112.34 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.473 HD13 HG23 ' A' ' 44' ' ' VAL . 2.5 mp -121.93 154.33 37.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.536 HG12 HG23 ' A' ' 41' ' ' THR . 44.5 t -31.44 -73.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.536 HG23 HG12 ' A' ' 40' ' ' VAL . 72.9 p -115.35 25.67 10.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.149 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.435 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 6.9 m -151.17 178.89 8.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.435 ' CG1' ' O ' ' A' ' 42' ' ' SER . 40.0 mt -158.38 112.52 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.103 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.631 HG13 ' CD2' ' A' ' 82' ' ' TYR . 96.8 t -83.91 99.45 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.41 HG13 HG12 ' A' ' 36' ' ' VAL . 86.2 t -90.76 100.21 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.151 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.401 ' HA ' ' CB ' ' A' ' 82' ' ' TYR . 10.4 p -101.11 139.65 36.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.554 ' CZ3' ' HA ' ' A' ' 82' ' ' TYR . 47.2 p90 -138.96 -179.89 6.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 56.3 p -143.54 152.71 57.32 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.603 0.716 . . . . 0.0 111.14 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 161.52 45.59 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.668 2.245 . . . . 0.0 112.394 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 127.0 14.0 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.718 2.279 . . . . 0.0 112.324 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -42.11 -36.37 1.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -70.48 97.51 1.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -83.31 37.74 0.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -122.39 -20.91 5.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 44.9 mt -85.81 128.23 39.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.503 HG22 ' HB2' ' A' ' 22' ' ' LEU . 84.7 t -71.28 107.41 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 64.3 t -103.59 114.29 42.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.069 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.425 ' HB3' ' NH1' ' A' ' 58' ' ' ARG . 4.7 mmm180 -81.93 -44.19 17.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -172.03 -179.2 42.8 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.487 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.507 ' HB3' HD11 ' A' ' 98' ' ' LEU . 19.5 m-85 -125.45 168.73 13.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.915 0.388 . . . . 0.0 110.894 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -130.58 122.06 26.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.099 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.405 HD11 ' CZ3' ' A' ' 47' ' ' TRP . 16.8 mt -100.15 137.95 26.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.104 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -135.57 124.28 3.27 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.412 ' CD1' ' N ' ' A' ' 64' ' ' TYR . 3.5 p90 -125.5 172.04 10.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.935 0.398 . . . . 0.0 110.89 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 153.56 145.47 4.16 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.515 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.74 HD11 ' CZ ' ' A' ' 94' ' ' TYR . 47.1 mm -57.67 105.69 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.843 0.354 . . . . 0.0 111.15 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 77.37 -48.02 2.77 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.522 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 26.0 m -115.82 121.05 34.74 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.595 0.712 . . . . 0.0 110.867 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 1.4 4.48 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.666 2.244 . . . . 0.0 112.352 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.406 ' O ' ' CG ' ' A' ' 70' ' ' HIS . 0.4 OUTLIER -86.53 42.8 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -107.95 -53.96 2.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -139.58 153.33 47.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.4 m -135.81 130.05 33.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.176 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 70.1 mt -117.33 117.03 53.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.1 mttt -99.3 123.63 43.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 34.9 m -138.99 162.36 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.146 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.24 158.53 7.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.826 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.426 ' CD2' ' N ' ' A' ' 79' ' ' LYS . 52.0 p90 -61.73 -50.44 72.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.426 ' N ' ' CD2' ' A' ' 78' ' ' TYR . 35.8 mttt -36.59 -50.21 0.79 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.867 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.443 ' O ' ' CZ2' ' A' ' 47' ' ' TRP . 52.6 mm-40 -37.46 112.48 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.966 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 12.0 tpp85 -74.17 -40.64 62.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.631 ' CD2' HG13 ' A' ' 44' ' ' VAL . 18.8 p90 -155.69 165.73 35.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -130.23 142.01 50.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.949 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 61.7 m -105.19 105.07 14.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.112 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 29.2 mt -87.6 105.43 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -101.97 170.94 7.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 73.89 45.74 0.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 29.4 mt -119.98 157.71 28.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.14 121.32 83.78 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.596 0.712 . . . . 0.0 110.876 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.481 ' CG ' ' HB3' ' A' ' 119' ' ' HIS . 54.0 Cg_endo -69.77 171.7 14.0 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.71 2.274 . . . . 0.0 112.321 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.3 p 50.31 54.99 10.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.823 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.2 m -156.42 148.0 22.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.815 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -92.92 117.59 30.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.74 ' CZ ' HD11 ' A' ' 66' ' ' ILE . 21.9 m-85 -108.86 151.06 26.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.953 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 58.6 t -110.16 107.38 22.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.159 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.683 ' HB ' HG11 ' A' ' 36' ' ' VAL . 3.4 mp -96.2 136.96 25.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 72.5 p -135.51 142.82 45.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.158 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.521 HD22 ' CB ' ' A' ' 47' ' ' TRP . 3.3 tp -134.58 144.53 47.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.919 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -147.28 130.45 16.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.87 125.3 29.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.531 ' CB ' ' HB3' ' A' ' 106' ' ' GLU . 3.8 p90 -127.67 144.27 51.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' A' ' 105' ' ' GLY . 40.8 p-10 -136.43 -175.04 3.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -48.31 -42.74 31.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 41.7 t -68.65 -49.8 61.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.46 ' N ' HG12 ' A' ' 27' ' ' VAL . . . 164.63 -165.2 37.32 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.538 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.531 ' HB3' ' CB ' ' A' ' 101' ' ' PHE . 1.4 pm0 -117.81 166.3 12.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.924 0.393 . . . . 0.0 110.908 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -107.09 -131.74 6.78 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.504 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.555 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -102.68 128.84 27.1 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.602 0.715 . . . . 0.0 111.155 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 168.87 20.26 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.765 2.31 . . . . 0.0 112.361 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.423 ' CD1' ' HG2' ' A' ' 31' ' ' PRO . 25.3 mt -109.07 155.89 20.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -113.57 127.85 56.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -137.45 179.55 6.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 25.3 p -142.22 146.46 35.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.528 ' HB1' ' HB3' ' A' ' 38' ' ' PRO . . . -156.71 119.94 4.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 85.2 t -99.53 98.41 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.129 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 117' ' ' ARG . 16.0 p -44.47 122.61 3.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 116' ' ' THR . 6.5 mmm180 -36.75 144.29 0.29 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.619 0.723 . . . . 0.0 110.866 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 100.96 0.85 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.695 2.264 . . . . 0.0 112.354 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.481 ' HB3' ' CG ' ' A' ' 90' ' ' PRO . 55.7 t60 -89.83 44.89 1.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 92.6 m -139.12 110.56 7.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.143 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 69.3 m -150.56 126.75 10.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.81 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -67.73 165.34 44.76 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.474 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -179.43 2.92 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.645 2.23 . . . . 0.0 112.361 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 65.1 m -157.82 130.12 7.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.825 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 5.3 t -88.06 107.41 18.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.451 -179.993 . . . . . . . . 0 0 . 1 stop_ save_