data_2ru8_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 2ru8 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.425 ' HA ' ' CG ' ' A' ' 136' ' ' HIS . 1.6 mpp? . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.826 0.346 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -147.71 114.44 6.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -89.56 -179.98 5.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.035 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -169.52 -171.46 1.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -118.3 156.16 51.07 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.676 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -85.24 35.4 0.52 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.774 2.316 . . . . 0.0 112.959 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.2 18.99 17.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.293 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.4 ' O ' ' CE3' ' A' ' 95' ' ' TRP . 26.1 p-90 -81.47 145.75 30.58 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 120.845 0.355 . . . . 0.0 111.021 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -110.63 149.76 40.76 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.84 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.9 146.29 58.85 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.587 2.192 . . . . 0.0 112.273 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -158.58 -172.34 3.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.31 -30.56 69.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.077 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.51 -32.5 70.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -62.3 -47.57 83.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 10.6 mt -76.74 -37.57 28.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.086 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -52.12 65.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.422 HD13 ' CZ2' ' A' ' 108' ' ' TRP . 17.1 mt -66.14 -44.26 84.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.15 -42.73 95.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.068 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.17 -36.1 82.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.087 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 16.8 tp -81.47 -30.85 33.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.73 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.431 ' CZ2' ' HG2' ' A' ' 141' ' ' GLN . 52.8 m0 -72.21 -13.37 61.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.32 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 107.3 37.58 2.27 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.676 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 24.2 t -140.12 119.05 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.813 0.34 . . . . 0.0 111.118 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -98.91 103.24 15.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.1 mt -86.53 118.28 25.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 48.1 mmm-85 -98.11 -59.28 1.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -90.59 150.02 41.77 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.15 159.48 4.07 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.603 2.202 . . . . 0.0 112.363 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 27.7 t -74.71 140.85 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.085 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 76.9 p -91.57 157.93 16.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.5 p -70.64 -41.74 71.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -59.74 -36.99 77.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.52 -50.4 31.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 2.4 tp -61.27 -49.33 77.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.27 -37.89 81.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.4 m -59.73 -48.33 82.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.983 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -60.52 -42.33 96.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.957 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 37.4 mt -71.0 -30.76 42.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.053 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.37 -48.11 79.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -77.11 -31.6 55.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . 0.497 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 4.3 t-105 -63.01 -46.97 85.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.786 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -77.49 -35.38 53.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.876 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.04 -30.76 70.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -70.79 -42.05 70.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 59.38 35.22 84.15 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.407 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.52 -164.85 0.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.807 0.337 . . . . 0.0 110.741 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 4.4 t -135.98 142.1 39.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.948 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.497 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 4.2 m-85 -132.24 140.28 48.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.956 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' HIS . . . . . 0.425 ' CG ' ' HA ' ' A' ' 88' ' ' MET . 2.9 m-70 -68.39 174.25 4.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.62 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . 0.458 ' CE1' ' CG2' ' A' ' 138' ' ' VAL . 6.9 p80 -63.14 -49.75 73.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.852 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.458 ' CG2' ' CE1' ' A' ' 137' ' ' HIS . 23.3 t -60.7 -37.8 76.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.804 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.67 -33.79 76.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.519 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.42 ' CH2' HD12 ' A' ' 144' ' ' LEU . 0.2 OUTLIER -69.07 -42.95 75.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.813 179.819 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . 0.431 ' HG2' ' CZ2' ' A' ' 108' ' ' TRP . 43.3 mt-30 -61.14 -41.32 96.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.038 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -73.38 -42.72 61.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.361 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.73 -53.64 54.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.028 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.42 HD12 ' CH2' ' A' ' 140' ' ' TRP . 0.2 OUTLIER -67.28 -31.91 72.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.006 -179.833 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -70.53 -60.07 2.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.169 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 3.9 mtm-85 -60.76 -29.01 69.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.929 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.9 m -66.55 -52.48 45.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 83.3 mt -75.06 -30.68 61.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -67.9 -57.78 5.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.968 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 6.5 mt -75.39 -19.75 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.328 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.516 -179.959 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.41 ' HA ' ' CD2' ' A' ' 136' ' ' HIS . 2.1 mtp . . . . . 0 N--CA 1.488 1.447 0 CA-C-O 120.835 0.35 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.407 ' CD1' ' O ' ' A' ' 88' ' ' MET . 55.8 m-85 -152.07 111.96 4.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.953 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -97.6 169.48 9.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.032 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 9.0 mtm -144.56 -166.52 2.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -119.37 155.44 53.92 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.765 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -87.52 39.57 0.57 Allowed 'Trans proline' 0 N--CA 1.459 -0.502 0 C-N-CA 122.901 2.4 . . . . 0.0 112.684 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -112.55 -15.49 13.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.308 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 40.0 p-90 -53.64 151.55 5.96 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.867 0.365 . . . . 0.0 111.184 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -136.79 149.68 67.63 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.91 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.22 151.44 17.17 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.534 2.156 . . . . 0.0 112.311 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -172.56 -176.4 1.52 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.24 -31.39 70.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.031 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -63.07 -31.81 73.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.42 -50.62 72.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 33.7 mm -69.19 -35.81 69.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.27 -50.5 73.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.808 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.415 HD13 ' CZ2' ' A' ' 108' ' ' TRP . 13.0 mt -68.51 -41.85 79.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.81 -37.54 87.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.163 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.98 -43.02 89.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.185 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 20.0 tp -81.39 -27.95 34.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.818 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.437 ' CD2' ' HG3' ' A' ' 141' ' ' GLN . 26.1 m0 -68.15 -13.48 62.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.279 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 99.41 43.62 2.5 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.5 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 17.5 t -136.61 110.71 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.849 0.357 . . . . 0.0 111.052 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -81.32 116.83 21.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.057 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -75.06 114.02 13.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.62 -31.24 10.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -133.97 159.44 72.39 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.08 165.55 23.74 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.58 2.187 . . . . 0.0 112.247 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 26.5 t -78.41 120.24 28.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.082 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 22.9 p -87.11 153.57 21.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 7.4 m -69.06 -31.38 70.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -60.86 -43.68 98.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -68.57 -45.25 72.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 40.4 mt -61.72 -48.5 80.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.948 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.12 -43.82 97.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.137 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 26.5 p -61.98 -32.63 73.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -70.47 -51.06 31.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 47.3 mt -68.19 -30.49 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.136 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.69 -58.08 6.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.123 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -67.77 -35.38 78.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.983 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . 0.499 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 4.5 t-105 -69.9 -42.08 73.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.707 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -75.37 -36.23 60.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.931 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.3 -44.94 82.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -63.03 -49.3 75.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.982 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 62.7 36.57 93.47 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.421 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -102.19 -162.66 0.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.819 0.342 . . . . 0.0 110.756 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 16.6 t -134.22 141.91 42.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.173 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.499 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 6.6 m-85 -130.17 163.46 26.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' HIS . . . . . 0.41 ' CD2' ' HA ' ' A' ' 88' ' ' MET . 2.3 m-70 -90.59 178.46 6.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.757 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 33.0 t60 -61.2 -56.39 21.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.818 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 26.5 t -62.77 -34.96 68.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.99 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -63.08 -46.08 89.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.776 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.408 ' CH2' HD11 ' A' ' 144' ' ' LEU . 1.7 t90 -62.83 -38.46 90.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.574 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . 0.437 ' HG3' ' CD2' ' A' ' 108' ' ' TRP . 12.8 tt0 -61.82 -52.61 63.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.831 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -65.86 -30.45 71.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.58 -54.27 45.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.996 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.408 HD11 ' CH2' ' A' ' 140' ' ' TRP . 0.1 OUTLIER -67.17 -42.44 84.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -61.33 -50.62 72.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.049 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.65 -32.45 72.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.765 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.4 t -65.1 -52.53 54.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 9.4 mt -62.41 -30.02 70.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.828 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -65.54 -57.58 7.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 38.7 mm -64.97 -21.76 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.311 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.474 179.953 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.425 ' HG3' ' CD2' ' A' ' 136' ' ' HIS . 1.6 mtp . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.71 0.291 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -167.16 124.94 1.26 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.914 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -88.67 108.87 19.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.249 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 18.1 mtp -76.8 -174.64 3.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -113.38 163.5 18.18 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.682 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -86.11 38.08 0.58 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.836 2.357 . . . . 0.0 112.649 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.15 -17.57 12.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.306 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.405 ' O ' ' CE3' ' A' ' 95' ' ' TRP . 37.8 p-90 -52.42 137.29 29.85 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.831 0.348 . . . . 0.0 111.294 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -132.35 167.68 21.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.833 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.41 145.92 54.73 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.491 2.128 . . . . 0.0 112.353 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -165.73 -170.97 1.93 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.76 -42.07 96.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.048 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -60.19 -31.85 70.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -64.53 -42.71 95.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 34.1 mt -75.29 -33.22 27.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -53.22 41.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.452 ' CD2' ' CZ2' ' A' ' 108' ' ' TRP . 6.9 mp -64.41 -42.79 95.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.782 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.98 -41.5 98.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.113 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.1 -34.65 76.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 19.7 tp -81.52 -31.55 32.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.673 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.452 ' CZ2' ' CD2' ' A' ' 104' ' ' LEU . 51.5 m0 -72.62 -13.41 61.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.307 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 105.53 47.3 1.13 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.439 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.5 t -139.23 114.28 8.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.766 0.317 . . . . 0.0 111.2 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -104.96 118.79 37.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.042 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.8 150.83 42.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.86 -44.58 4.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.5 163.26 17.37 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.01 145.16 66.69 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.583 2.189 . . . . 0.0 112.362 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 21.2 t -62.68 139.96 20.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.096 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 22.9 p -75.82 157.69 33.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.825 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 11.7 p -70.92 -28.63 64.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -57.78 -42.13 83.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.036 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -67.02 -44.27 80.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 11.0 mp -65.54 -46.69 78.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.985 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.24 -38.11 89.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.061 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 22.6 m -68.87 -33.43 73.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.403 ' CZ ' HD13 ' A' ' 144' ' ' LEU . 1.4 t80 -69.58 -43.51 72.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 26.9 mt -69.67 -33.5 56.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.17 -49.26 70.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.03 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -73.53 -31.91 63.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . 0.504 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 5.2 t-105 -67.26 -45.98 75.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.717 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -76.05 -34.0 59.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.43 -30.81 64.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.079 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -68.53 -39.9 80.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 59.77 45.49 95.67 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.525 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.46 -164.76 1.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.836 0.35 . . . . 0.0 110.766 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 4.3 t -141.21 142.11 29.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.998 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.504 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 3.6 m-85 -132.48 160.03 37.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.865 0.364 . . . . 0.0 111.05 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' HIS . . . . . 0.425 ' CD2' ' HG3' ' A' ' 88' ' ' MET . 0.5 OUTLIER -87.83 177.61 6.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.768 179.817 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -63.0 -46.26 88.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 21.3 t -63.32 -37.97 80.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.937 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -66.86 -32.4 73.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.687 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 9.4 t90 -69.39 -43.83 72.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . 0.427 ' HB2' ' CD2' ' A' ' 108' ' ' TRP . 2.9 pt20 -73.83 -30.46 62.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.959 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -75.03 -46.92 31.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.03 -54.41 38.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.935 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.403 HD13 ' CZ ' ' A' ' 124' ' ' PHE . 0.2 OUTLIER -58.97 -48.0 83.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.011 -179.83 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -59.11 -52.7 64.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.11 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -30.53 71.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.963 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 5.7 t -69.68 -48.0 61.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 3.4 mt -66.39 -29.65 69.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -66.96 -57.85 6.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.052 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -67.43 -27.25 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.297 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.438 179.946 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.788 0.328 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -160.12 120.69 2.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -81.08 -179.88 7.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.03 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -173.77 -165.84 0.27 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.812 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 10.4 p90 -114.46 149.41 42.14 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.623 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -84.93 35.49 0.53 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.72 2.28 . . . . 0.0 112.787 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -113.19 9.99 18.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.477 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.444 ' CZ2' HG12 ' A' ' 125' ' ' ILE . 38.0 p-90 -71.88 140.14 49.16 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 120.849 0.357 . . . . 0.0 110.852 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -107.68 145.43 31.31 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.32 143.74 52.31 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.546 2.164 . . . . 0.0 112.318 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -152.45 -176.85 5.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.29 -30.64 68.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.137 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -59.49 -32.31 70.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.96 -52.94 62.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 19.5 mt -73.03 -30.55 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.027 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.45 -52.22 59.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.945 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.465 ' CD2' ' CZ2' ' A' ' 108' ' ' TRP . 6.9 mp -66.24 -46.25 77.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.71 -32.16 73.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.28 -32.74 49.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.159 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 17.5 tp -81.47 -30.99 33.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.672 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.465 ' CZ2' ' CD2' ' A' ' 104' ' ' LEU . 52.9 m0 -74.84 -13.42 60.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.235 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 95.75 35.38 5.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.539 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.5 t -112.61 110.64 32.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.833 0.349 . . . . 0.0 111.088 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -120.06 129.8 54.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.091 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.4 mp -102.6 159.22 15.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -101.28 -40.53 7.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -123.88 160.58 51.01 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.79 125.06 11.69 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.593 2.195 . . . . 0.0 112.322 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 27.9 t -75.29 158.49 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.97 170.4 7.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.943 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 71.8 p -61.87 -23.2 66.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.062 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -53.56 -43.56 68.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.1 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -65.75 -49.01 69.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 13.4 mt -60.39 -49.99 75.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.45 -32.65 70.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.17 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.05 -41.93 85.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.99 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -67.03 -48.04 69.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.008 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.444 HG12 ' CZ2' ' A' ' 95' ' ' TRP . 49.2 mt -59.89 -43.96 93.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.023 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.43 -45.56 91.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.053 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -67.56 -35.51 79.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . 0.424 ' CE3' ' CE2' ' A' ' 135' ' ' PHE . 6.5 t-105 -65.95 -52.33 50.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.772 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.07 -30.48 66.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.937 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.34 -40.4 62.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.119 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -59.95 -39.57 86.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 59.47 38.08 93.01 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.412 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.14 -165.4 1.4 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.822 0.344 . . . . 0.0 110.824 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 20.2 t -131.92 141.96 44.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.107 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.424 ' CE2' ' CE3' ' A' ' 128' ' ' TRP . 6.0 m-85 -128.44 156.96 42.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.987 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' HIS . . . . . 0.416 ' CD2' ' N ' ' A' ' 136' ' ' HIS . 5.2 m170 -87.7 171.81 10.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -67.13 -45.1 78.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.819 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.14 -32.88 57.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.996 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -71.25 -38.96 71.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.757 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.423 ' CH2' HD13 ' A' ' 144' ' ' LEU . 25.3 t90 -65.58 -44.29 87.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.811 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . 0.446 ' HB3' ' CZ2' ' A' ' 108' ' ' TRP . 4.2 pt20 -70.93 -42.89 69.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.043 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -62.96 -50.57 70.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.256 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.58 -54.16 50.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.293 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.423 HD13 ' CH2' ' A' ' 140' ' ' TRP . 0.2 OUTLIER -57.93 -43.79 86.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.219 -179.674 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -66.84 -60.12 2.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.42 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 1.2 mmt-85 -58.46 -30.29 66.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.162 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 36.9 t -71.1 -52.64 18.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.057 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 65.8 mt -59.79 -30.04 68.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -54.27 15.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 28.5 mm -69.54 -20.51 23.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.329 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.477 -179.966 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.421 ' HG3' ' CE1' ' A' ' 136' ' ' HIS . 6.3 mtp . . . . . 0 N--CA 1.489 1.483 0 CA-C-O 120.835 0.35 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -146.74 110.39 4.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.77 104.68 10.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.126 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 4.4 mmm -76.79 -170.49 1.61 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -115.06 141.98 27.81 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.545 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -84.92 34.12 0.5 Allowed 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.683 2.256 . . . . 0.0 112.899 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.24 -8.54 13.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.385 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 50.0 p-90 -53.53 140.26 28.87 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 120.936 0.398 . . . . 0.0 111.191 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -103.94 154.62 37.96 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.822 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.86 141.05 63.52 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.562 2.175 . . . . 0.0 112.254 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -157.15 179.41 9.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.03 -29.76 71.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.136 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -58.65 -31.31 68.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.407 ' CZ ' HD13 ' A' ' 144' ' ' LEU . 0.3 OUTLIER -64.73 -44.11 91.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.402 HD13 HG23 ' A' ' 102' ' ' ILE . 32.9 mt -73.9 -34.49 39.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.085 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.47 -55.38 34.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.415 HD12 ' CZ2' ' A' ' 108' ' ' TRP . 15.9 mt -63.9 -44.5 92.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.53 -42.49 98.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.137 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.32 -38.88 91.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 18.4 tp -81.54 -31.28 32.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.729 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.425 ' CG ' ' HG3' ' A' ' 141' ' ' GLN . 46.5 m0 -70.96 -13.43 62.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.311 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 109.27 43.12 1.2 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.454 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.6 t -128.49 118.39 47.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.789 0.328 . . . . 0.0 111.117 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -118.18 95.52 4.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 23.0 mt -93.66 128.5 39.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.956 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -60.55 2.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -90.55 160.72 38.45 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.3 173.16 0.13 Allowed 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.557 2.171 . . . . 0.0 112.35 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 11.3 p -77.09 123.72 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.163 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -93.07 160.59 14.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.25 -29.25 63.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.96 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -57.03 -47.3 81.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.08 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -66.82 -44.33 81.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.808 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 13.2 mt -62.81 -51.78 65.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -58.39 -33.63 69.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 15.0 t -64.84 -47.37 78.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.424 ' CE1' ' HG ' ' A' ' 144' ' ' LEU . 54.1 t80 -62.69 -48.04 81.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.949 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 54.9 mt -64.19 -32.89 59.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.996 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.51 -41.5 93.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -77.0 -35.76 56.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . 0.502 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 8.7 t-105 -66.39 -38.5 87.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.793 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -74.0 -43.71 57.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.25 -31.37 69.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.067 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.46 -49.98 71.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 58.72 34.04 75.34 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.562 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.33 -164.13 0.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.775 0.321 . . . . 0.0 110.796 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 4.8 t -139.14 142.07 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.502 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 0.6 OUTLIER -139.77 171.17 14.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.948 -179.894 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' HIS . . . . . 0.421 ' CE1' ' HG3' ' A' ' 88' ' ' MET . 4.1 m-70 -95.32 -169.08 1.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.623 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . 0.446 ' CE1' ' CG2' ' A' ' 138' ' ' VAL . 7.8 p80 -71.3 -45.14 63.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.713 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.446 ' CG2' ' CE1' ' A' ' 137' ' ' HIS . 21.7 t -63.97 -43.06 97.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.972 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -60.79 -38.94 87.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.766 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.422 ' CZ3' HD12 ' A' ' 144' ' ' LEU . 1.1 t90 -67.7 -34.67 77.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.574 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . 0.425 ' HG3' ' CG ' ' A' ' 108' ' ' TRP . 13.1 tt0 -65.14 -58.07 6.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.919 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -60.47 -35.3 75.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.975 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt -65.06 -54.06 36.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.968 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.424 ' HG ' ' CE1' ' A' ' 124' ' ' PHE . 0.4 OUTLIER -65.28 -42.05 93.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.007 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -58.65 -60.01 4.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.229 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 31.7 mtt85 -59.05 -30.13 67.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.042 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 10.6 t -70.47 -36.66 74.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 14.5 mt -79.91 -35.23 38.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.959 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.56 -49.73 24.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.964 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 23.9 mt -81.77 -20.58 10.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.392 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 -179.936 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.425 ' HA ' ' CG ' ' A' ' 136' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.856 0.36 . . . . 0.0 111.195 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -139.66 110.54 6.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.938 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -106.17 179.57 4.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 7.0 ptp -174.01 -172.56 0.73 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.809 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -94.44 163.68 22.25 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.685 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -87.11 39.59 0.61 Allowed 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 122.837 2.358 . . . . 0.0 112.57 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -110.38 -9.14 14.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.712 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.467 ' CZ2' HG12 ' A' ' 125' ' ' ILE . 29.1 p-90 -61.47 145.91 50.26 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 120.793 0.33 . . . . 0.0 110.945 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -120.42 154.13 56.44 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -68.84 146.12 64.82 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.638 2.225 . . . . 0.0 112.271 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.0 -171.14 3.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.76 -33.68 72.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.075 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -60.53 -30.89 70.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.416 ' CE1' HG22 ' A' ' 116' ' ' VAL . 9.3 t80 -60.54 -50.22 74.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 33.8 mt -76.16 -35.73 29.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.175 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -46.14 83.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 18.1 mt -69.54 -43.45 72.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.3 -34.92 74.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.59 -39.12 88.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.045 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 20.2 tp -81.44 -29.67 33.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.755 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.42 ' CD2' ' HB2' ' A' ' 141' ' ' GLN . 52.0 m0 -73.03 -13.44 61.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.28 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 107.0 47.97 0.98 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.591 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.6 t -141.11 125.68 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.82 0.343 . . . . 0.0 111.148 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -111.04 104.35 12.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.052 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 45.3 mt -118.93 118.36 31.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.31 -34.11 63.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.2 163.41 20.13 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -65.04 174.51 4.74 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.532 2.155 . . . . 0.0 112.265 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.416 HG22 ' CE1' ' A' ' 101' ' ' PHE . 21.1 t -67.1 154.71 7.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.138 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.55 161.16 13.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.872 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.5 p -65.7 -42.81 90.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -59.01 -40.17 84.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -48.42 72.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.7 -40.9 88.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.09 -37.23 79.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.124 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.2 m -74.03 -35.08 64.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.775 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -66.1 -58.85 4.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.941 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.467 HG12 ' CZ2' ' A' ' 95' ' ' TRP . 63.6 mt -60.38 -41.47 87.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.72 -59.07 6.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.081 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -64.26 -30.95 71.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.745 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . 0.501 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 9.2 t-105 -67.09 -41.89 85.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.766 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -76.3 -42.99 43.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.43 -30.83 71.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.071 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.65 -49.95 75.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 67.96 37.24 87.67 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.521 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -129.12 -166.18 1.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.752 0.31 . . . . 0.0 110.753 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.8 t -130.99 142.06 44.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.048 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.501 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 12.9 m-85 -124.54 148.17 47.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.957 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' HIS . . . . . 0.425 ' CG ' ' HA ' ' A' ' 88' ' ' MET . 1.8 m-70 -88.34 -173.3 4.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 21.3 m-70 -67.74 -44.01 78.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 26.5 t -67.71 -40.76 84.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.044 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -66.13 -36.75 83.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 13.9 t90 -65.88 -45.28 82.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . 0.42 ' HB2' ' CD2' ' A' ' 108' ' ' TRP . 4.2 pt20 -73.06 -41.0 64.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.068 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.38 -49.9 67.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.04 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.31 -53.21 60.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.97 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.55 -47.84 83.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.93 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -60.42 -43.96 96.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.64 -29.09 66.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.95 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.2 m -72.08 -44.35 63.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.972 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 34.7 mt -71.61 -36.1 70.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.976 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -63.66 -56.04 18.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.0 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . 0.401 HD12 HG22 ' A' ' 150' ' ' ILE . 29.7 mt -78.02 -19.68 13.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.412 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.548 180.0 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 8.7 ptp . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.739 0.304 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 55.7 p90 -164.42 123.19 1.84 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.011 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -105.79 -179.97 4.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.089 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.09 -166.84 1.5 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.968 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -100.26 158.54 31.79 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.467 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -83.44 35.58 0.57 Allowed 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.619 2.213 . . . . 0.0 112.977 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -113.53 -8.61 13.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.467 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 37.9 p-90 -54.81 157.85 2.94 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 120.913 0.387 . . . . 0.0 111.417 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -128.84 139.54 35.94 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.733 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.2 172.46 0.15 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.478 2.118 . . . . 0.0 112.323 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -169.05 -171.49 1.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.94 -30.47 70.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -64.71 -33.5 76.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.93 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.2 -54.71 42.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.836 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 5.2 mt -64.24 -42.36 95.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -48.9 79.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.939 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.452 ' CD2' ' CZ2' ' A' ' 108' ' ' TRP . 7.7 mp -68.82 -38.54 79.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.99 -39.21 88.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.55 -30.64 47.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.149 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 17.5 tp -81.46 -30.69 33.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.702 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.452 ' CZ2' ' CD2' ' A' ' 104' ' ' LEU . 49.6 m0 -73.05 -13.42 61.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.309 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 101.74 44.04 2.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.606 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.3 t -141.61 117.86 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.761 0.315 . . . . 0.0 111.056 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -100.99 124.23 46.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.117 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.5 mp -118.26 110.45 17.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -95.82 -35.75 11.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.841 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.51 154.13 50.89 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -69.11 135.14 31.17 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.573 2.182 . . . . 0.0 112.285 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 11.0 p -59.58 144.8 12.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.057 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 40.6 p -103.09 151.17 22.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.9 t -64.86 -31.48 72.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.56 -36.51 84.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -70.91 -50.7 32.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 19.8 mt -63.28 -47.12 83.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.79 -39.66 85.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 57.3 p -62.11 -43.75 98.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.41 ' CZ ' ' HG ' ' A' ' 144' ' ' LEU . 45.2 t80 -60.78 -48.48 81.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.937 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 59.3 mt -62.44 -32.88 56.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.03 -51.32 68.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.95 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -67.15 -32.02 72.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.693 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . 0.495 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 7.9 t-105 -67.74 -40.72 84.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.635 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -76.93 -35.29 57.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -76.5 -28.15 56.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.17 -42.65 91.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.833 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 60.88 45.2 97.0 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.447 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -142.71 -175.08 4.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.802 0.334 . . . . 0.0 110.564 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 12.1 t -130.51 142.11 44.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.066 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.495 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 2.1 m-85 -126.63 164.04 22.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.926 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' HIS . . . . . 0.429 ' N ' ' CD2' ' A' ' 136' ' ' HIS . 4.4 m170 -92.13 174.05 7.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.749 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -64.72 -48.81 73.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.747 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.39 -35.36 75.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.025 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -73.21 -34.56 65.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.409 ' CZ3' HD13 ' A' ' 144' ' ' LEU . 3.7 t90 -69.0 -36.17 77.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.028 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . 0.448 ' HB3' ' CE2' ' A' ' 108' ' ' TRP . 3.6 pt20 -73.83 -42.16 61.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.23 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -75.2 -28.31 59.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.229 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -75.76 -40.21 55.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.978 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.41 ' HG ' ' CZ ' ' A' ' 124' ' ' PHE . 0.5 OUTLIER -70.18 -44.31 69.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.947 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -63.64 -56.48 15.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.109 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -60.23 -30.73 69.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 4.0 m -67.95 -43.89 78.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.937 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 95.1 mt -74.48 -35.01 63.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -67.08 -51.79 50.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.995 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 30.3 mt -80.3 -19.21 12.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.39 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.513 179.945 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.427 ' HA ' ' CE1' ' A' ' 136' ' ' HIS . 47.9 mtm . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.817 0.341 . . . . 0.0 111.177 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -148.58 108.17 3.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -88.43 104.41 16.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.181 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 6.5 ptm -82.27 -167.59 1.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 18.6 p90 -117.23 143.43 31.85 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.524 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -84.91 31.94 0.49 Allowed 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.744 2.296 . . . . 0.0 112.992 -179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.27 19.63 16.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.343 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.429 ' CZ2' HG12 ' A' ' 125' ' ' ILE . 27.7 p-90 -77.1 142.4 39.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.804 0.335 . . . . 0.0 111.007 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -110.48 158.91 34.07 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.766 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -66.89 141.65 59.61 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.534 2.156 . . . . 0.0 112.284 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -162.81 -174.81 4.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.69 -32.2 72.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -59.22 -36.59 75.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.18 -47.91 82.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 28.6 mt -74.43 -30.42 25.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.057 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.33 -52.62 38.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.77 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.451 ' CD2' ' CZ2' ' A' ' 108' ' ' TRP . 6.0 mp -66.0 -38.02 87.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.94 -43.91 97.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.131 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.4 -30.7 60.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.278 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 19.3 tp -81.37 -31.62 33.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.723 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.451 ' CZ2' ' CD2' ' A' ' 104' ' ' LEU . 39.6 m0 -73.76 -13.41 60.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.261 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 106.1 27.77 5.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.51 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.2 t -119.93 111.17 31.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.835 0.35 . . . . 0.0 111.115 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -117.59 98.16 6.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.7 mt -93.79 120.64 34.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.779 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.81 -39.11 57.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.45 140.49 22.05 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.826 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.82 144.22 55.95 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.457 2.105 . . . . 0.0 112.29 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 12.7 p -72.86 135.29 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.074 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 38.7 p -80.21 150.66 30.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.3 t -63.61 -30.18 71.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -57.67 -38.38 75.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.003 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -67.88 -43.16 79.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.803 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.86 -48.09 69.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.85 -40.74 98.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.089 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.1 m -65.3 -41.2 94.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -61.47 -52.38 64.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.867 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.429 HG12 ' CZ2' ' A' ' 95' ' ' TRP . 16.8 mt -67.29 -32.0 55.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.027 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.35 -47.39 86.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.066 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -76.05 -31.0 58.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . 0.509 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 7.5 t-105 -70.69 -40.73 72.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.812 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.56 -31.42 53.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.872 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.1 -37.49 64.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -73.03 -46.81 49.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.93 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 63.2 29.42 74.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.371 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.36 -159.47 0.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.69 0.281 . . . . 0.0 110.666 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 13.1 t -140.02 141.96 32.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.141 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.509 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 6.8 m-85 -132.83 171.1 14.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.911 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' HIS . . . . . 0.427 ' CE1' ' HA ' ' A' ' 88' ' ' MET . 4.1 m-70 -103.04 175.93 5.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.677 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . 0.459 ' CD2' ' CG2' ' A' ' 138' ' ' VAL . 32.9 p-80 -65.62 -51.73 57.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.766 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.459 ' CG2' ' CD2' ' A' ' 137' ' ' HIS . 25.7 t -64.71 -34.04 67.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.998 0.428 . . . . 0.0 110.799 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.57 -56.55 18.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.723 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.416 ' CH2' HD12 ' A' ' 144' ' ' LEU . 3.1 t90 -58.59 -33.16 69.67 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.731 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . 0.446 ' HG3' ' CD2' ' A' ' 108' ' ' TRP . 11.6 tt0 -66.24 -52.16 50.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.155 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -69.77 -41.1 75.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.439 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.8 -54.37 47.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.222 -179.689 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.416 HD12 ' CH2' ' A' ' 140' ' ' TRP . 0.2 OUTLIER -61.95 -43.12 99.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.079 -179.898 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -62.95 -41.13 99.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.286 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -75.79 -25.79 56.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.172 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.76 -41.77 67.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.039 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 70.9 mt -75.92 -39.76 55.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.13 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -69.42 -56.25 7.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 21.1 mt -74.32 -20.46 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.423 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.542 179.928 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.408 ' HA ' ' CD2' ' A' ' 136' ' ' HIS . 29.2 mtm . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.78 0.324 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -154.72 99.53 2.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.6 -179.81 5.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.038 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.66 -163.72 1.31 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.735 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.444 ' N ' ' CD1' ' A' ' 92' ' ' TYR . 1.8 p90 -133.9 155.45 80.24 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.39 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -84.47 20.66 1.19 Allowed 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.765 2.31 . . . . 0.0 113.106 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.15 20.81 15.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.506 0.193 . . . . 0.0 111.471 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.41 ' O ' ' CE3' ' A' ' 95' ' ' TRP . 70.3 p-90 -74.82 118.0 17.3 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 120.828 0.347 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -95.59 155.35 38.69 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.56 157.66 6.92 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.575 2.183 . . . . 0.0 112.293 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -167.61 165.26 14.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.959 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.47 -36.01 75.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -62.59 -33.14 74.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -60.29 -55.12 37.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 34.8 mm -66.86 -35.95 76.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.058 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.45 -53.78 49.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.417 HD22 ' CE2' ' A' ' 108' ' ' TRP . 17.3 mt -61.58 -43.02 99.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.976 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.08 -46.01 89.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.51 -35.84 80.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 17.9 tp -81.47 -31.3 33.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.749 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.44 ' CD2' ' HG3' ' A' ' 141' ' ' GLN . 47.1 m0 -72.06 -13.38 61.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.241 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 107.71 47.57 0.96 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.474 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.8 t -141.63 115.74 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.87 0.367 . . . . 0.0 111.112 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -105.55 98.28 7.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.01 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.8 mt -89.64 118.81 29.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.041 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.33 -60.7 1.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -90.88 165.51 21.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.918 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -63.95 137.08 55.86 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.548 2.165 . . . . 0.0 112.203 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 19.5 t -56.96 145.95 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -88.03 152.73 21.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.821 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.0 t -63.93 -36.49 84.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -60.21 -35.44 75.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -73.42 -43.43 60.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.1 -50.42 61.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.1 -35.67 81.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.224 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 27.5 t -61.58 -47.44 85.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.959 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -62.92 -44.4 96.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.006 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 24.3 mt -70.13 -29.97 41.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.1 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.94 -50.85 67.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.076 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -70.25 -32.8 70.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . 0.46 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 3.9 t-105 -66.4 -47.03 74.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.765 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -76.43 -34.47 58.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.849 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.36 -34.62 78.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.057 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -72.53 -45.29 60.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 59.31 45.74 94.96 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.455 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -127.85 -165.44 1.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.81 0.338 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 11.1 t -124.55 142.03 42.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.088 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.46 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 10.0 m-85 -129.4 170.29 13.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' HIS . . . . . 0.408 ' CD2' ' HA ' ' A' ' 88' ' ' MET . 1.9 m-70 -97.06 162.2 13.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . 0.411 ' CE1' HG23 ' A' ' 138' ' ' VAL . 9.8 p80 -59.47 -45.08 92.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.411 HG23 ' CE1' ' A' ' 137' ' ' HIS . 21.4 t -60.51 -33.84 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.182 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -67.49 -44.12 79.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.405 ' CZ2' HD13 ' A' ' 144' ' ' LEU . 2.1 t90 -65.63 -30.72 71.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.915 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . 0.44 ' HG3' ' CD2' ' A' ' 108' ' ' TRP . 11.7 tt0 -69.68 -49.42 53.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.096 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -74.63 -41.02 61.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.241 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 13.5 mmmt -58.92 -54.23 49.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.185 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.405 HD13 ' CZ2' ' A' ' 140' ' ' TRP . 0.1 OUTLIER -69.65 -32.92 71.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.13 -179.813 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -66.66 -58.86 4.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.177 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -65.67 -26.25 67.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.049 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 45.6 t -74.55 -35.17 63.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.062 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 11.5 mt -78.08 -51.57 10.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.113 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -60.04 -45.13 93.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.0 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 44.7 mt -80.64 -23.64 11.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.212 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.524 179.913 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.438 ' HG3' ' CD2' ' A' ' 136' ' ' HIS . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.802 0.334 . . . . 0.0 111.159 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.401 ' CD1' ' O ' ' A' ' 89' ' ' PHE . 50.6 p90 -159.98 121.25 3.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -88.47 109.11 19.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.157 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 18.3 mtp -75.69 -174.3 2.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -110.92 162.99 18.39 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.57 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -85.01 36.65 0.57 Allowed 'Trans proline' 0 N--CA 1.462 -0.367 0 C-N-CA 122.748 2.299 . . . . 0.0 112.792 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.1 -19.32 11.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.357 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.406 ' O ' ' CE3' ' A' ' 95' ' ' TRP . 37.7 p-90 -50.55 133.4 25.21 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.85 0.357 . . . . 0.0 111.417 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -129.04 157.89 74.48 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.764 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.81 136.74 75.72 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.573 2.182 . . . . 0.0 112.159 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -160.18 -168.68 2.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.43 -35.13 73.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.2 -33.66 74.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.937 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -65.35 -48.57 72.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 32.9 mm -69.85 -37.41 73.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -44.71 93.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.415 ' HB3' ' CE2' ' A' ' 108' ' ' TRP . 17.2 mt -70.74 -42.96 69.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.08 -39.25 85.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.064 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.1 -37.36 85.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.061 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 20.1 tp -81.34 -32.14 33.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.682 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.419 ' CD2' ' HB2' ' A' ' 141' ' ' GLN . 51.5 m0 -73.54 -13.49 61.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.22 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 90.5 34.62 7.84 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.523 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.5 t -134.33 116.26 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.744 0.306 . . . . 0.0 111.194 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -114.34 131.13 56.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.116 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.5 mt -84.68 128.43 34.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.47 -36.66 13.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.948 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -119.43 165.81 16.33 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.834 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -63.76 146.13 91.65 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.523 2.148 . . . . 0.0 112.179 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 20.7 t -69.39 147.81 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.237 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 73.1 p -106.26 150.97 25.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 34.1 p -72.09 -35.42 69.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.823 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -59.55 -42.15 91.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -64.02 -45.45 88.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.94 -40.92 91.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.958 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.95 -38.97 83.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.094 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.7 m -68.41 -44.14 75.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -60.1 -48.8 80.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 49.1 mt -69.0 -32.09 53.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.062 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -66.07 -57.54 7.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.068 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -62.3 -35.3 78.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.773 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . 0.509 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 4.2 t-105 -63.99 -52.59 58.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.682 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -66.93 -37.24 83.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.29 -35.43 76.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.194 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.06 -41.53 98.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.933 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 61.94 31.52 78.77 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.378 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -110.02 -163.3 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.661 0.267 . . . . 0.0 110.818 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 11.4 t -141.79 142.11 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.114 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.509 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 3.7 m-85 -133.47 154.22 50.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.015 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' HIS . . . . . 0.438 ' CD2' ' HG3' ' A' ' 88' ' ' MET . 1.0 OUTLIER -78.84 -179.59 6.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.774 179.765 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . 0.418 ' CD2' HG23 ' A' ' 138' ' ' VAL . 56.3 p-80 -71.27 -44.48 65.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.639 179.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.418 HG23 ' CD2' ' A' ' 137' ' ' HIS . 21.6 t -66.16 -34.07 67.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.808 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -69.32 -40.66 77.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.703 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 20.8 t90 -62.71 -43.71 98.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.857 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . 0.419 ' HB2' ' CD2' ' A' ' 108' ' ' TRP . 4.4 pt20 -70.43 -34.92 73.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.866 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -74.43 -34.2 63.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.97 -54.15 14.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.2 -43.43 95.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -60.1 -59.28 5.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -60.11 -29.87 68.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 7.1 m -64.29 -51.46 63.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.838 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 79.9 mt -65.07 -31.68 73.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -64.03 -47.4 80.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.819 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 21.2 mt -76.51 -19.96 14.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.323 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.514 179.943 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 22.8 ptm . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.812 0.339 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -153.58 104.39 2.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -75.46 124.85 27.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.079 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -120.64 -163.81 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.83 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 5.9 p90 -111.21 154.48 43.58 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.467 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -84.04 29.21 0.55 Allowed 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.746 2.297 . . . . 0.0 113.013 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -113.4 25.73 11.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.576 0.227 . . . . 0.0 111.423 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.418 ' CZ2' HG12 ' A' ' 125' ' ' ILE . 23.1 p-90 -82.3 137.63 34.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.929 0.395 . . . . 0.0 111.226 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.61 92.19 7.27 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.615 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.87 -171.86 1.26 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.602 2.201 . . . . 0.0 112.624 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -168.98 -70.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.624 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -88.14 -36.2 17.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.809 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.18 -25.99 67.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.027 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.411 ' CE1' HG21 ' A' ' 116' ' ' VAL . 9.6 t80 -64.68 -41.41 96.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.859 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 31.0 mt -76.65 -36.63 27.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.143 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.83 -40.36 69.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.807 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.42 HD21 ' CE2' ' A' ' 108' ' ' TRP . 23.2 mt -68.08 -45.04 74.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.768 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.16 -40.44 95.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.032 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.75 -34.25 69.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 19.5 tp -81.44 -30.68 33.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.794 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.423 ' CZ2' ' HG2' ' A' ' 141' ' ' GLN . 46.9 m0 -74.48 -13.29 60.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.302 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 102.03 35.62 3.91 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.519 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 28.7 t -128.79 126.04 64.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.835 0.35 . . . . 0.0 111.033 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -116.04 95.2 4.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.158 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.4 mt -91.05 134.61 34.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -39.4 77.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.923 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.35 164.13 45.07 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.21 160.73 3.07 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.552 2.168 . . . . 0.0 112.244 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.411 HG21 ' CE1' ' A' ' 101' ' ' PHE . 21.9 t -82.63 147.63 5.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 24.2 p -76.57 151.53 36.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.2 t -68.62 -27.91 66.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -57.17 -47.14 81.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.961 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -63.56 -37.82 88.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.819 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 2.7 mt -67.35 -50.3 60.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.1 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.88 -32.57 70.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.163 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.3 p -70.49 -41.3 72.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -63.54 -38.82 92.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.418 HG12 ' CZ2' ' A' ' 95' ' ' TRP . 23.5 mt -70.27 -38.43 74.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.051 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.91 -45.11 95.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.09 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -77.05 -35.0 57.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . 0.493 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 5.6 t-105 -61.29 -47.1 87.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.724 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -73.27 -38.11 66.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.02 -30.88 70.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.135 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -63.23 -49.71 73.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 68.4 43.51 78.06 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.528 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -133.92 -165.93 1.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.889 0.376 . . . . 0.0 110.766 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 20.5 t -127.44 150.41 33.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.177 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.493 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 20.8 m-85 -130.08 153.74 48.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.967 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -87.42 170.02 11.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -60.14 -64.11 1.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 26.7 t -54.53 -35.98 33.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.189 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -63.62 -35.57 80.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.72 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.426 ' CH2' HD11 ' A' ' 144' ' ' LEU . 1.3 t90 -70.16 -40.01 74.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . 0.423 ' HG2' ' CZ2' ' A' ' 108' ' ' TRP . 31.0 mt-30 -69.36 -36.94 77.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.098 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -74.9 -50.19 17.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.404 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -54.37 47.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.317 -179.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.426 HD11 ' CH2' ' A' ' 140' ' ' TRP . 0.1 OUTLIER -62.52 -48.88 77.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.076 -179.716 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -57.41 -58.55 7.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.205 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 2.2 mmt85 -61.21 -29.51 69.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 31.4 t -66.56 -46.88 74.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 41.2 mt -68.78 -28.02 66.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -72.46 -57.69 3.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.951 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -61.79 -27.92 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.046 0.451 . . . . 0.0 111.199 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.421 179.884 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.413 ' HA ' ' CE1' ' A' ' 136' ' ' HIS . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.798 0.332 . . . . 0.0 111.183 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -144.06 111.19 5.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.989 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -85.48 -179.88 7.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.028 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 1.7 tmm? -167.14 177.56 6.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -104.52 150.67 38.77 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.624 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -84.2 35.24 0.54 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.691 2.261 . . . . 0.0 112.912 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.38 13.29 18.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.425 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.427 ' CZ2' HG12 ' A' ' 125' ' ' ILE . 26.5 p-90 -78.54 155.98 29.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.895 0.378 . . . . 0.0 111.239 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -131.82 162.19 57.92 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.61 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.39 136.9 70.94 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.421 2.081 . . . . 0.0 112.213 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -136.29 -175.77 4.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.907 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -75.11 -36.68 61.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.055 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.03 -29.25 67.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -64.53 -57.48 9.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.848 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.0 mt -61.8 -37.62 78.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.984 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -47.11 85.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.449 ' CD2' ' CZ2' ' A' ' 108' ' ' TRP . 7.3 mp -67.54 -42.32 82.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.05 -33.92 74.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -73.19 -39.06 65.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.132 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 17.2 tp -81.39 -29.96 33.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.805 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.449 ' CZ2' ' CD2' ' A' ' 104' ' ' LEU . 43.8 m0 -68.16 -13.33 62.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.314 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 97.16 42.9 3.14 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.59 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 17.2 t -116.3 110.71 32.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 0.0 111.084 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -111.03 124.38 52.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.1 mp -121.89 142.43 50.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.71 -31.26 36.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.862 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.32 157.87 75.75 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.23 -179.2 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.544 2.163 . . . . 0.0 112.299 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 9.6 p -94.82 145.99 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.043 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.63 165.94 11.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 15.2 p -60.28 -35.97 76.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -61.67 -31.48 71.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -69.77 -48.98 57.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.811 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.5 mp -68.99 -41.73 77.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.786 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.0 -39.51 92.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.049 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.3 m -65.31 -49.91 67.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.81 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -60.23 -46.08 91.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.427 HG12 ' CZ2' ' A' ' 95' ' ' TRP . 10.4 mt -69.51 -32.77 54.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.016 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.53 -54.12 50.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.03 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -67.77 -33.8 75.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . 0.506 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 10.6 t-105 -67.67 -39.9 84.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.777 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -75.95 -35.33 59.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.954 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -76.11 -31.43 58.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -66.19 -45.48 80.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 59.51 34.44 81.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.424 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -111.06 -163.85 0.88 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.669 0.271 . . . . 0.0 110.824 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 3.9 t -133.82 141.94 42.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.047 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.506 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 9.8 m-85 -129.68 162.58 28.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.966 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' HIS . . . . . 0.413 ' CE1' ' HA ' ' A' ' 88' ' ' MET . 8.9 m-70 -97.84 179.04 4.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.681 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . 0.476 ' CE1' ' CG2' ' A' ' 138' ' ' VAL . 6.9 p80 -68.34 -47.46 67.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.743 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.476 ' CG2' ' CE1' ' A' ' 137' ' ' HIS . 39.6 t -69.28 -36.97 74.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.946 0.403 . . . . 0.0 110.771 179.505 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -69.12 -36.89 77.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.961 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 15.8 t90 -66.68 -45.02 80.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . 0.436 ' HB3' ' CZ2' ' A' ' 108' ' ' TRP . 3.8 pt20 -70.52 -30.04 66.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.043 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -78.41 -48.19 15.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.229 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -41.03 96.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.118 -179.71 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.9 tt -69.83 -48.12 60.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -60.74 -56.89 15.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.196 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -60.74 -30.0 69.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.05 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.3 m -66.77 -52.71 41.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.061 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 29.8 mt -64.76 -29.1 70.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.996 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -67.93 -50.59 55.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.03 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 27.0 pt -69.95 -32.37 51.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.095 0.474 . . . . 0.0 111.236 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.451 -179.98 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 2.5 mmt . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.787 0.327 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -150.92 106.31 3.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.99 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -83.67 110.48 18.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.042 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.44 -165.04 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -123.11 158.52 57.59 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.269 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -84.68 23.27 0.85 Allowed 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.641 2.227 . . . . 0.0 113.113 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.21 11.86 18.85 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.62 0.23 . . . . 0.0 111.62 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 67.7 p-90 -71.42 131.46 43.39 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 120.896 0.379 . . . . 0.0 111.064 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -110.41 151.02 42.42 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.97 160.74 48.42 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.542 2.161 . . . . 0.0 112.299 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -176.51 -169.81 0.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.913 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.1 -31.89 70.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -59.67 -31.11 69.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.94 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -64.06 -41.2 97.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 17.1 mt -73.68 -34.67 41.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.014 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.77 -41.85 82.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 16.2 mt -72.3 -43.8 63.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.93 90.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -73.73 -31.25 63.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.148 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 20.2 tp -81.51 -30.64 33.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.793 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.421 ' CG ' ' HB2' ' A' ' 141' ' ' GLN . 46.2 m0 -74.22 -13.29 60.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.336 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 108.61 37.53 2.05 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.416 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.3 t -139.98 111.08 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.785 0.326 . . . . 0.0 111.106 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -112.59 110.2 20.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.7 mp -113.59 159.94 19.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.823 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.45 -45.22 9.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -108.02 155.32 40.25 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.69 179.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.565 2.177 . . . . 0.0 112.377 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 12.5 p -77.83 152.17 5.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.176 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 59.3 p -83.82 149.43 26.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.857 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.2 t -68.86 -30.81 69.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -59.19 -48.16 82.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.78 -30.59 69.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -62.4 -57.93 9.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.799 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.83 -39.91 95.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.4 t -59.74 -44.6 93.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.422 ' CZ ' HD13 ' A' ' 144' ' ' LEU . 0.9 OUTLIER -61.45 -48.41 81.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.999 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 53.9 mt -65.75 -32.26 57.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.0 -44.38 96.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.125 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -75.46 -32.15 60.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . 0.487 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 12.8 t-105 -69.44 -40.57 77.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -75.0 -36.64 61.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -76.84 -31.51 56.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.012 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -63.73 -45.46 89.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 59.45 35.32 84.81 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.516 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.46 -164.57 1.04 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.81 0.338 . . . . 0.0 110.785 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 4.1 t -132.81 141.96 43.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.974 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.487 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 8.0 m-85 -130.27 149.84 51.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -82.99 -179.13 7.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.723 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . 0.412 ' CD2' HG22 ' A' ' 138' ' ' VAL . 57.3 p-80 -70.52 -40.94 73.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.728 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.412 HG22 ' CD2' ' A' ' 137' ' ' HIS . 21.4 t -70.3 -35.04 60.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.041 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -70.56 -36.43 73.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -67.8 -46.4 72.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.78 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . 0.421 ' HB2' ' CG ' ' A' ' 108' ' ' TRP . 3.9 pt20 -65.51 -41.59 93.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -66.7 -42.22 86.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.53 -49.99 73.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.422 HD13 ' CZ ' ' A' ' 124' ' ' PHE . 0.1 OUTLIER -66.18 -35.93 81.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -69.12 -48.73 61.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.189 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.1 -30.38 71.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.001 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 20.5 m -72.58 -44.43 62.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.046 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 5.4 mt -74.76 -38.06 62.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.96 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.83 -54.83 7.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.961 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 26.7 mt -73.11 -19.58 18.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.346 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.393 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.486 -179.964 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.419 ' HA ' ' CD2' ' A' ' 136' ' ' HIS . 2.2 mtt . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.763 0.316 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -132.89 107.0 8.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.007 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.41 110.56 20.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.193 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 22.7 ptp -101.65 -168.12 1.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.769 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.408 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 10.4 p90 -116.53 150.59 45.81 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.664 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 92' ' ' TYR . 3.5 Cg_endo -85.36 35.93 0.53 Allowed 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 122.877 2.384 . . . . 0.0 112.646 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -113.17 20.32 16.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.194 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.43 ' CZ2' HG12 ' A' ' 125' ' ' ILE . 26.0 p-90 -84.72 148.75 26.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.815 0.341 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -116.39 142.4 29.4 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.55 152.89 15.2 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.464 2.11 . . . . 0.0 112.246 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -164.6 -174.45 3.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.77 -37.24 81.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.166 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.57 -32.89 70.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.957 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -60.22 -53.62 55.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 10.8 mt -70.93 -34.83 57.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.054 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.39 -48.84 73.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.8 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.4 mt -66.45 -43.01 86.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.34 -44.6 95.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.04 -36.52 83.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.039 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 20.1 tp -81.46 -31.64 32.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.733 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.425 ' CD2' ' HB2' ' A' ' 141' ' ' GLN . 47.2 m0 -69.67 -13.5 62.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.278 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 109.25 28.55 4.33 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.433 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.4 t -129.3 110.69 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.731 0.3 . . . . 0.0 111.114 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -114.57 106.71 14.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.3 mt -115.18 114.76 25.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.944 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.23 -44.17 89.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.84 144.94 56.53 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.6 -177.68 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.516 2.144 . . . . 0.0 112.258 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 12.6 p -90.76 134.33 29.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 7.3 p -78.39 148.35 33.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.3 t -72.21 -34.14 68.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -66.42 -36.97 84.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -69.13 -44.21 72.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 6.4 mt -64.44 -51.04 65.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.947 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.52 -35.85 76.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 23.3 t -65.9 -41.14 91.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.42 ' CZ ' ' HG ' ' A' ' 144' ' ' LEU . 6.7 t80 -65.13 -53.29 47.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.43 HG12 ' CZ2' ' A' ' 95' ' ' TRP . 6.1 mt -60.39 -37.37 74.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.055 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.29 -55.73 31.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.086 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -65.23 -29.78 70.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . 0.501 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 8.4 t-105 -72.53 -41.18 66.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -74.81 -34.91 62.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.924 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -78.35 -30.92 48.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -67.7 -45.95 73.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.977 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 61.86 33.45 85.44 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.37 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.68 -161.9 0.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.763 0.316 . . . . 0.0 110.757 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 3.7 t -142.09 141.96 28.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.945 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.501 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 5.2 m-85 -135.03 159.3 41.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.92 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' HIS . . . . . 0.419 ' CD2' ' HA ' ' A' ' 88' ' ' MET . 3.9 m-70 -95.44 174.83 6.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.739 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . 0.481 ' CE1' ' CG2' ' A' ' 138' ' ' VAL . 7.8 p80 -61.17 -47.7 84.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.628 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.481 ' CG2' ' CE1' ' A' ' 137' ' ' HIS . 31.7 t -71.83 -33.82 49.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.617 179.387 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.74 -33.58 72.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.65 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -71.13 -49.66 41.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . 0.425 ' HB2' ' CD2' ' A' ' 108' ' ' TRP . 6.5 pt20 -66.67 -36.13 81.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.915 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -75.77 -47.56 25.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.027 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 23.0 tttt -60.85 -49.79 76.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.961 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.42 ' HG ' ' CZ ' ' A' ' 124' ' ' PHE . 1.7 tt -61.53 -52.43 64.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -59.11 -49.61 77.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.107 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -65.9 -29.31 69.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.015 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 11.4 m -72.19 -41.92 66.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 79.0 mt -72.55 -34.54 67.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -74.27 -53.48 9.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 38.0 mt -73.98 -18.81 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.388 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.506 -179.944 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.781 0.324 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -147.13 114.05 6.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.939 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.58 -179.93 1.89 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.019 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 11.3 mtm -151.17 -174.52 4.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.788 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 14.2 p90 -109.18 146.31 33.62 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.551 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -83.3 33.01 0.51 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.674 2.249 . . . . 0.0 112.934 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.4 -16.9 12.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.274 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 42.1 p-90 -49.24 146.64 3.57 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.868 0.365 . . . . 0.0 111.458 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.79 165.33 37.37 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.766 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.05 148.64 85.76 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.485 2.123 . . . . 0.0 112.258 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.38 -168.88 2.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.92 -46.69 80.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.056 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -59.3 -31.26 68.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -61.27 -48.93 79.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 29.8 mm -72.53 -31.21 36.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.51 -52.35 40.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 21.1 mt -61.76 -45.04 95.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.53 -46.81 87.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.163 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.27 -34.52 77.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 17.5 tp -81.42 -31.89 32.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.723 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.415 ' CZ2' ' HG2' ' A' ' 141' ' ' GLN . 45.5 m0 -70.53 -13.34 62.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.322 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 107.98 32.17 3.38 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.516 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.5 t -119.83 110.74 30.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 111.122 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -101.76 107.65 18.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.059 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -117.5 121.61 41.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 11.1 mtt85 -85.75 -58.72 2.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -74.78 150.74 86.48 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.04 179.24 0.04 OUTLIER 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.605 2.204 . . . . 0.0 112.306 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 10.8 p -89.95 153.05 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.084 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 18.3 p -106.7 149.75 26.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.9 t -71.47 -32.01 67.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.94 -38.94 93.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -63.91 -46.69 83.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.7 mp -63.79 -49.4 73.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -58.75 -30.04 67.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.16 -45.32 60.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.962 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.423 ' CZ ' HD13 ' A' ' 144' ' ' LEU . 7.9 t80 -66.95 -47.34 71.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.983 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 54.6 mt -65.53 -32.62 59.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.975 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.09 -50.05 67.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.018 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.42 ' CD2' ' HG3' ' A' ' 131' ' ' GLU . 34.9 t80 -72.83 -31.23 64.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.828 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . 0.501 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 4.6 t-105 -62.47 -47.73 82.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.714 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -73.97 -43.18 59.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.53 -30.66 71.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.42 ' HG3' ' CD2' ' A' ' 127' ' ' TYR . 0.2 OUTLIER -63.18 -44.27 95.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 65.25 32.61 84.34 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.462 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -120.68 -166.02 1.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.84 0.352 . . . . 0.0 110.776 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 12.6 t -139.04 145.36 27.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.106 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.501 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 4.5 m-85 -130.55 149.39 52.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -77.43 177.94 7.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.813 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -61.77 -60.43 3.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.973 0.416 . . . . 0.0 110.823 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 31.9 t -57.39 -34.47 46.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.931 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -64.56 -32.16 73.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.73 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.407 ' CZ2' HD12 ' A' ' 144' ' ' LEU . 2.2 t90 -74.08 -40.81 62.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.79 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . 0.415 ' HG2' ' CZ2' ' A' ' 108' ' ' TRP . 28.1 mt-30 -62.1 -46.41 89.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.95 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.81 -36.09 64.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.02 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -62.72 -53.88 47.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.98 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.423 HD13 ' CZ ' ' A' ' 124' ' ' PHE . 0.1 OUTLIER -67.04 -46.52 74.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.997 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -59.45 -57.97 10.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.193 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 16.5 ttt180 -58.46 -31.5 67.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -64.87 -52.66 55.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.92 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 15.6 mt -69.1 -28.07 66.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.95 -57.82 11.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 31.9 pt -72.58 -32.82 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.068 0.461 . . . . 0.0 111.255 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.549 -179.962 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.426 ' HA ' ' CG ' ' A' ' 136' ' ' HIS . 3.5 mpp? . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.823 0.344 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -137.04 108.61 6.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -75.06 109.17 8.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.211 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 24.7 ptm -99.44 -168.63 1.64 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.808 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.408 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 14.0 p90 -118.16 144.16 34.35 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.617 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 92' ' ' TYR . 1.7 Cg_endo -82.51 35.03 0.56 Allowed 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.886 2.391 . . . . 0.0 112.752 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.11 19.74 16.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.644 0.259 . . . . 0.0 111.14 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.412 ' CZ2' HG12 ' A' ' 125' ' ' ILE . 17.1 p-90 -78.89 146.97 33.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.038 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -107.65 148.53 37.47 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.05 148.64 57.16 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.562 2.174 . . . . 0.0 112.274 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -159.16 -175.93 5.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.82 -30.4 68.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.099 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -59.63 -30.82 68.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.63 -58.73 7.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 6.8 mt -66.41 -33.31 62.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.036 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -54.4 42.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.757 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.421 ' HB3' ' CE2' ' A' ' 108' ' ' TRP . 14.6 mt -64.39 -43.09 95.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.843 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.36 -35.69 74.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.011 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.69 93.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 18.6 tp -81.45 -29.25 33.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.721 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.438 ' CE2' ' HG2' ' A' ' 141' ' ' GLN . 40.7 m0 -68.22 -13.52 62.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.259 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 108.91 40.87 1.5 Allowed Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.508 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.4 t -150.71 110.66 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.857 0.36 . . . . 0.0 111.08 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -97.25 111.13 23.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.3 mt -112.06 108.57 17.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -87.69 -38.5 15.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -97.2 158.45 33.25 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.979 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.68 151.54 19.03 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.515 2.143 . . . . 0.0 112.289 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 10.9 p -79.83 140.89 16.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.31 147.63 53.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 60.8 m -72.41 -39.96 67.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.043 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -57.12 -34.98 68.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -51.98 49.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 6.7 mp -60.52 -50.19 74.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.39 -38.38 80.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.08 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.1 m -69.66 -31.42 69.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.426 ' CZ ' HD11 ' A' ' 144' ' ' LEU . 0.3 OUTLIER -66.26 -58.29 5.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.412 HG12 ' CZ2' ' A' ' 95' ' ' TRP . 10.5 mt -64.35 -29.9 48.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.056 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.28 -48.71 72.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -72.6 -31.46 65.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 6.4 t-105 -67.83 -48.81 65.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.769 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.95 -31.5 64.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -78.15 -30.64 49.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -72.17 -44.91 62.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 60.82 36.57 92.16 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.45 -163.69 0.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.75 0.31 . . . . 0.0 110.726 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 3.4 t -133.72 142.04 42.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -135.02 151.0 50.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.035 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' HIS . . . . . 0.426 ' CG ' ' HA ' ' A' ' 88' ' ' MET . 0.3 OUTLIER -87.29 -171.75 3.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.74 179.759 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -71.3 -51.06 26.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.781 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 27.7 t -62.76 -38.13 80.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.132 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -65.77 -31.96 73.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -72.63 -39.55 67.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.997 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . 0.438 ' HG2' ' CE2' ' A' ' 108' ' ' TRP . 34.2 mt-30 -63.14 -49.68 73.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.07 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -66.97 -34.44 77.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.25 -54.22 40.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.982 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.426 HD11 ' CZ ' ' A' ' 124' ' ' PHE . 0.1 OUTLIER -62.37 -34.72 77.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.1 -179.906 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -71.67 -59.96 2.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.245 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -58.97 -29.89 67.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.036 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 32.7 t -69.97 -48.46 58.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.008 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -67.02 -29.61 69.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.985 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -71.84 -57.85 3.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.958 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 1.7 pp -60.8 -28.36 43.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.355 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.532 -179.918 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.424 ' HG3' ' CD2' ' A' ' 136' ' ' HIS . 1.9 mtp . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.835 0.35 . . . . 0.0 111.133 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -157.46 112.84 2.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.027 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -94.55 -179.91 5.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.946 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -167.84 -161.94 0.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -132.58 163.02 53.67 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.23 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -81.65 21.95 0.88 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.559 2.173 . . . . 0.0 113.118 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -113.21 19.49 17.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.562 0.22 . . . . 0.0 111.326 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 68.9 p-90 -74.53 143.07 44.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.842 0.353 . . . . 0.0 110.999 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -104.96 142.19 24.12 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.67 158.87 52.46 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.588 2.192 . . . . 0.0 112.256 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -162.73 -178.79 6.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.36 -27.68 62.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.247 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.14 -30.18 61.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.983 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -61.97 -58.49 7.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.5 mt -67.33 -36.76 77.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.199 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.73 -45.98 92.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.832 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.463 ' CD2' ' CZ2' ' A' ' 108' ' ' TRP . 6.2 mp -73.45 -42.84 61.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.4 -38.95 91.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.17 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -67.41 -36.26 80.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 16.1 tp -81.53 -31.28 32.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.838 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.463 ' CZ2' ' CD2' ' A' ' 104' ' ' LEU . 54.1 m0 -73.06 -13.51 61.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.33 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 106.71 41.15 1.76 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.537 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 18.3 t -142.07 110.67 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.356 . . . . 0.0 111.072 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -91.16 108.33 19.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.9 mt -102.32 121.34 42.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.832 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -108.81 -38.94 5.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -106.06 140.53 21.34 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.86 153.64 19.34 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.389 2.059 . . . . 0.0 112.206 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 12.4 p -80.32 139.07 18.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.024 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 43.8 p -65.4 154.78 37.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.5 -39.1 81.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.949 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -60.07 -35.25 74.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.82 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -72.73 -46.12 55.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 3.8 tp -66.36 -43.53 85.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.48 -39.78 95.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.9 t -67.3 -34.97 78.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.421 ' CE1' HD12 ' A' ' 144' ' ' LEU . 1.8 t80 -69.54 -45.1 69.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.978 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 17.3 mt -67.03 -44.06 88.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.02 -48.21 80.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.21 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -66.81 -30.8 71.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . 0.466 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 1.6 t-105 -67.94 -50.98 52.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.768 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -73.85 -31.49 63.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.22 -31.06 67.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.101 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.72 -38.68 77.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 59.02 40.86 96.04 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.453 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -118.37 -167.72 1.41 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.879 0.371 . . . . 0.0 110.711 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 3.5 t -144.28 142.09 24.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.466 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 0.2 OUTLIER -139.89 161.33 37.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.808 -179.907 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' HIS . . . . . 0.424 ' CD2' ' HG3' ' A' ' 88' ' ' MET . 28.3 m-70 -79.7 -178.02 6.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.767 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 56.6 p-80 -70.98 -39.24 72.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.73 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 28.3 t -66.82 -35.79 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.929 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.51 -38.75 77.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.799 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.421 ' CH2' HD11 ' A' ' 144' ' ' LEU . 22.2 t90 -63.61 -44.55 93.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.689 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . 0.448 ' HB3' ' CZ2' ' A' ' 108' ' ' TRP . 3.9 pt20 -68.22 -42.7 79.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.996 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -66.38 -51.75 53.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.028 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.84 -54.14 49.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.267 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.421 HD11 ' CH2' ' A' ' 140' ' ' TRP . 0.2 OUTLIER -59.61 -49.65 76.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.137 -179.834 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -58.59 -60.05 4.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.286 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . 0.4 ' O ' HG12 ' A' ' 150' ' ' ILE . 5.6 mtm-85 -57.71 -31.75 66.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.719 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.3 m -59.36 -51.05 71.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.751 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 12.1 mt -63.27 -35.14 79.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.481 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.85 -57.85 6.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.835 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . 0.4 HG12 ' O ' ' A' ' 146' ' ' ARG . 17.9 mm -69.39 -20.7 24.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.329 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.406 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.547 -179.952 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.402 ' HA ' ' CG ' ' A' ' 136' ' ' HIS . 36.3 mtm . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 120.784 0.326 . . . . 0.0 111.261 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -159.39 102.14 1.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -81.07 -179.93 7.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.075 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 4.2 ptp -163.68 -157.27 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.705 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.449 ' O ' ' HD1' ' A' ' 95' ' ' TRP . 4.1 p90 -118.01 156.76 49.91 Favored Pre-proline 0 C--N 1.331 -0.237 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 179.599 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -79.75 18.18 1.17 Allowed 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.545 2.163 . . . . 0.0 113.361 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -113.18 22.77 13.98 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.551 0.204 . . . . 0.0 111.551 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.449 ' HD1' ' O ' ' A' ' 92' ' ' TYR . 66.7 p-90 -74.65 116.74 15.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.853 0.358 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -136.62 92.16 15.22 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -82.91 173.39 10.25 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.792 2.328 . . . . 0.0 112.501 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -131.29 -79.8 0.52 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.712 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -88.21 -34.06 17.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.095 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -59.18 -35.43 73.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.981 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -59.94 -57.13 14.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 33.8 mm -65.23 -30.42 50.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.021 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -49.38 62.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 14.0 mt -67.65 -43.15 80.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.57 87.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.042 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.13 -42.23 99.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 20.7 tp -81.45 -28.82 34.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.725 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.421 ' CD2' ' HB2' ' A' ' 141' ' ' GLN . 28.3 m0 -68.1 -13.36 62.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.373 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 108.97 38.16 1.9 Allowed Glycine 0 C--N 1.332 0.326 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.559 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.9 t -140.89 110.68 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.817 0.341 . . . . 0.0 111.079 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -91.5 99.63 12.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.088 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 66.5 mt -120.68 148.02 44.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -118.89 -45.44 2.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -84.7 148.92 52.84 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.58 172.65 0.16 Allowed 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.609 2.206 . . . . 0.0 112.306 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 11.6 p -91.52 131.99 37.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 37.1 p -65.31 154.48 38.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.6 t -67.01 -30.51 70.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.949 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -58.23 -35.02 71.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.928 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -74.14 -48.29 30.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.42 HD11 ' CH2' ' A' ' 95' ' ' TRP . 3.7 mm? -64.36 -40.18 95.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -69.71 -38.56 76.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.8 m -68.89 -47.2 66.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.425 ' CE2' HD11 ' A' ' 144' ' ' LEU . 2.7 t80 -61.24 -53.76 52.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 39.7 mt -64.3 -30.7 50.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.987 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.8 -56.13 20.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.034 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -67.88 -31.44 71.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.779 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . 0.461 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 8.7 t-105 -63.66 -47.59 80.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.718 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -30.92 61.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.83 -33.11 62.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -67.44 -47.44 70.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 66.77 39.47 93.59 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.498 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.54 -164.91 1.31 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.761 0.315 . . . . 0.0 110.755 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 12.2 t -131.71 142.08 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.142 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.461 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 8.0 m-85 -129.38 150.56 50.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' HIS . . . . . 0.402 ' CG ' ' HA ' ' A' ' 88' ' ' MET . 0.3 OUTLIER -79.1 164.91 23.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.896 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -65.12 -39.9 93.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 21.8 t -67.82 -43.25 86.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.079 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -62.19 -37.4 85.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.415 ' CZ3' HD13 ' A' ' 144' ' ' LEU . 5.3 t90 -64.96 -50.6 65.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.943 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . 0.421 ' HB2' ' CD2' ' A' ' 108' ' ' TRP . 4.0 pt20 -66.67 -34.73 78.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.005 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -73.23 -36.58 66.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -75.41 -50.18 16.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.07 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.425 HD11 ' CE2' ' A' ' 124' ' ' PHE . 0.2 OUTLIER -59.02 -54.24 49.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.04 -179.892 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -60.43 -54.32 47.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.213 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -58.96 -31.92 69.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.033 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 45.5 t -67.03 -51.74 51.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.93 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 6.9 mt -60.73 -30.72 70.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.926 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -67.43 -54.21 22.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 30.2 mm -69.24 -19.9 23.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.361 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.56 179.998 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.702 0.287 . . . . 0.0 111.183 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -165.64 101.88 0.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.056 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -104.26 -179.9 4.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 16.3 ptp -167.58 -165.43 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.712 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -104.8 160.54 25.65 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.518 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -85.69 35.79 0.51 Allowed 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.72 2.28 . . . . 0.0 112.994 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.32 22.26 14.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.563 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.425 ' CZ2' HG12 ' A' ' 125' ' ' ILE . 14.8 p-90 -85.87 135.5 33.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.899 0.38 . . . . 0.0 110.93 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.71 108.74 62.42 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.909 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -79.8 155.26 23.6 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.452 2.101 . . . . 0.0 112.324 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -172.76 -76.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.826 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -88.11 -50.2 6.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.055 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -61.14 -28.73 69.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.035 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -63.21 -52.03 63.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.955 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.9 mt -73.8 -30.12 27.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.157 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.82 -45.19 62.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.426 HD12 ' CZ2' ' A' ' 108' ' ' TRP . 15.9 mt -71.79 -44.66 63.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.922 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.31 -42.73 96.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.275 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.55 -37.91 89.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.222 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 19.1 tp -81.44 -28.11 34.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.782 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.434 ' CG ' ' HG3' ' A' ' 141' ' ' GLN . 46.2 m0 -75.87 -13.36 60.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.34 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 110.5 37.17 1.8 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.67 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.8 t -143.34 110.64 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.869 0.366 . . . . 0.0 111.051 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -90.92 119.3 31.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.232 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.5 mt -123.42 108.64 12.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.785 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.55 -47.04 7.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.833 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.56 166.58 41.71 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.43 155.69 68.89 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.548 2.165 . . . . 0.0 112.264 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 21.4 t -88.79 148.72 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.9 p -89.56 151.71 21.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.843 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.1 m -72.11 -30.71 65.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.984 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -59.41 -37.0 76.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -72.22 -40.6 67.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.931 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.8 tp -68.68 -53.5 21.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.18 -37.67 77.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 93.7 p -61.53 -49.86 75.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -61.98 -44.84 95.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.425 HG12 ' CZ2' ' A' ' 95' ' ' TRP . 15.6 mt -62.6 -45.92 97.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.169 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.9 -44.37 97.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.092 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.44 -35.99 78.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.846 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . 0.515 ' CZ3' ' CZ ' ' A' ' 135' ' ' PHE . 1.8 t-105 -62.48 -40.86 98.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.742 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -70.4 -40.17 74.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.001 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -73.7 -19.32 60.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.465 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -59.2 -49.67 76.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.97 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 60.98 40.79 98.96 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.648 -0.786 . . . . 0.0 112.451 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 5.0 tttm -150.34 142.89 24.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.724 0.297 . . . . 0.0 110.758 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 20.3 t -103.61 141.74 18.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.29 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.515 ' CZ ' ' CZ3' ' A' ' 128' ' ' TRP . 0.1 OUTLIER -143.13 162.3 35.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.703 179.708 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -63.67 178.78 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.917 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -71.35 -38.84 71.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.931 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 26.2 t -58.2 -34.26 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -66.45 -43.86 84.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.452 ' CH2' ' CD1' ' A' ' 144' ' ' LEU . 1.1 t90 -66.12 -29.36 69.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.875 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . 0.434 ' HG3' ' CG ' ' A' ' 108' ' ' TRP . 12.5 tt0 -71.3 -53.92 12.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.971 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -63.89 -37.47 87.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.061 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -65.23 -54.23 32.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.044 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.452 ' CD1' ' CH2' ' A' ' 140' ' ' TRP . 0.8 OUTLIER -62.73 -39.57 94.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.052 -179.878 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -68.94 -49.77 55.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.156 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -63.34 -30.85 71.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.004 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 56.1 p -71.44 -40.18 70.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.002 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 94.8 mt -77.14 -43.52 33.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.998 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -63.27 -51.98 63.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.995 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 18.0 mt -79.72 -19.55 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.466 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.553 -179.86 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.415 ' HA ' ' CD2' ' A' ' 136' ' ' HIS . 4.0 mtt . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.827 0.346 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -156.49 98.15 1.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -78.9 -179.8 6.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.017 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 6.8 mtm -162.73 -170.9 2.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.922 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -123.24 163.17 35.52 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.261 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -85.38 22.04 1.0 Allowed 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.664 2.243 . . . . 0.0 113.128 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.25 27.27 9.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.597 0.237 . . . . 0.0 111.432 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.408 ' CE3' ' HD3' ' A' ' 97' ' ' PRO . 44.9 p-90 -76.42 124.49 27.63 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.871 0.367 . . . . 0.0 110.795 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -97.33 105.21 23.71 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.408 ' HD3' ' CE3' ' A' ' 95' ' ' TRP . 62.4 Cg_endo -72.86 144.97 39.71 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.453 2.102 . . . . 0.0 112.385 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -178.12 -77.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.886 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -88.15 -50.84 6.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.889 0.376 . . . . 0.0 111.272 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.84 -31.15 62.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.198 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.421 ' CE1' HD12 ' A' ' 112' ' ' LEU . 1.6 t80 -62.47 -46.92 86.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.042 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 38.9 mt -74.56 -39.74 47.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -53.71 50.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.416 HD11 ' CZ2' ' A' ' 108' ' ' TRP . 19.9 mt -65.72 -45.06 84.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.97 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.85 -43.85 97.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.08 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.04 -36.01 76.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 17.5 tp -81.35 -35.02 31.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.778 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.426 ' CZ2' ' HB3' ' A' ' 141' ' ' GLN . 54.9 m0 -73.99 -13.44 60.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.401 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 92.23 39.59 5.36 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.456 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 25.5 t -127.7 120.8 55.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.34 . . . . 0.0 111.054 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -108.71 105.74 15.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.421 HD12 ' CE1' ' A' ' 101' ' ' PHE . 1.7 mt -88.92 141.49 28.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.77 -48.49 2.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -108.02 165.49 12.65 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.793 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -68.22 152.7 75.81 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.59 2.193 . . . . 0.0 112.239 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 11.0 p -73.81 135.57 27.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.038 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 70.1 p -67.1 151.43 47.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 19.1 p -62.47 -37.86 87.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.01 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -60.42 -40.81 92.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.48 -48.6 74.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.9 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 2.2 tp -68.48 -48.84 63.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.37 -31.8 69.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.254 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.6 m -74.93 -41.94 58.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.422 ' CZ ' HD12 ' A' ' 144' ' ' LEU . 1.1 t80 -66.84 -47.86 70.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.816 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 52.7 mt -66.88 -40.72 86.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.057 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.08 -55.46 34.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.197 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -66.4 -31.1 71.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.896 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . 0.498 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 5.2 t-105 -72.19 -31.95 66.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.915 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.54 -39.65 45.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -75.32 -30.55 60.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.1 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.06 -49.94 75.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 56.82 36.95 74.93 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.555 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -113.74 -164.42 0.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.725 0.298 . . . . 0.0 110.835 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 10.9 t -139.93 142.05 32.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.027 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.498 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 0.8 OUTLIER -137.13 171.16 14.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.785 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' HIS . . . . . 0.415 ' CD2' ' HA ' ' A' ' 88' ' ' MET . 3.9 m-70 -92.29 177.87 6.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.774 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 21.5 p80 -69.18 -34.22 74.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.932 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.3 -41.52 83.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -67.8 -32.5 73.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.031 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.418 ' CZ2' HD11 ' A' ' 144' ' ' LEU . 9.2 t90 -69.97 -42.37 73.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . 0.426 ' HB3' ' CZ2' ' A' ' 108' ' ' TRP . 8.6 pt20 -73.68 -35.44 65.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.065 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -71.6 -39.47 70.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.162 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -70.37 -54.31 13.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.149 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.422 HD12 ' CZ ' ' A' ' 124' ' ' PHE . 0.2 OUTLIER -59.75 -56.03 26.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.12 -179.775 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -55.93 -55.03 37.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.39 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.18 -31.29 68.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.114 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 24.3 m -73.33 -44.94 57.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.895 0.379 . . . . 0.0 111.058 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 9.4 mt -59.72 -39.39 84.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.021 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -68.5 -57.85 5.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 31.6 mm -62.6 -18.99 21.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.313 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.509 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.425 ' HA ' ' CG ' ' A' ' 136' ' ' HIS . 1.6 mpp? . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.826 0.346 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -147.71 114.44 6.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -89.56 -179.98 5.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.035 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -169.52 -171.46 1.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -118.3 156.16 51.07 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.676 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -85.24 35.4 0.52 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.774 2.316 . . . . 0.0 112.959 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.2 18.99 17.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.293 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.4 ' O ' ' CE3' ' A' ' 95' ' ' TRP . 26.1 p-90 -81.47 145.75 30.58 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 120.845 0.355 . . . . 0.0 111.021 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -110.63 149.76 40.76 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.84 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.9 146.29 58.85 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.587 2.192 . . . . 0.0 112.273 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -158.58 -172.34 3.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.31 -30.56 69.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.077 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.51 -32.5 70.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -62.3 -47.57 83.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 10.6 mt -76.74 -37.57 28.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.086 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -52.12 65.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.422 HD13 ' CZ2' ' A' ' 108' ' ' TRP . 17.1 mt -66.14 -44.26 84.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.15 -42.73 95.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.068 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.17 -36.1 82.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.087 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 16.8 tp -81.47 -30.85 33.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.73 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.431 ' CZ2' ' HG2' ' A' ' 141' ' ' GLN . 52.8 m0 -72.21 -13.37 61.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.32 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 107.3 37.58 2.27 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.676 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 24.2 t -140.12 119.05 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.813 0.34 . . . . 0.0 111.118 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -98.91 103.24 15.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.1 mt -86.53 118.28 25.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 48.1 mmm-85 -98.11 -59.28 1.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -90.59 150.02 41.77 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.15 159.48 4.07 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.603 2.202 . . . . 0.0 112.363 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 27.7 t -74.71 140.85 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.085 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 76.9 p -91.57 157.93 16.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.5 p -70.64 -41.74 71.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -59.74 -36.99 77.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.52 -50.4 31.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 2.4 tp -61.27 -49.33 77.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.27 -37.89 81.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.4 m -59.73 -48.33 82.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.983 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -60.52 -42.33 96.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.957 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 37.4 mt -71.0 -30.76 42.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.053 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.37 -48.11 79.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -77.11 -31.6 55.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . 0.497 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 4.3 t-105 -63.01 -46.97 85.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.786 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -77.49 -35.38 53.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.876 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.04 -30.76 70.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -70.79 -42.05 70.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 59.38 35.22 84.15 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.407 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.52 -164.85 0.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.807 0.337 . . . . 0.0 110.741 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 4.4 t -135.98 142.1 39.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.948 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.497 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 4.2 m-85 -132.24 140.28 48.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.956 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . 0.425 ' CG ' ' HA ' ' A' ' 88' ' ' MET . 2.9 m-70 -68.39 174.25 4.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.62 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . 0.458 ' CE1' ' CG2' ' A' ' 138' ' ' VAL . 6.9 p80 -63.14 -49.75 73.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.852 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.458 ' CG2' ' CE1' ' A' ' 137' ' ' HIS . 23.3 t -60.7 -37.8 76.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.804 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.67 -33.79 76.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.519 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.42 ' CH2' HD12 ' A' ' 144' ' ' LEU . 0.2 OUTLIER -69.07 -42.95 75.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.813 179.819 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.431 ' HG2' ' CZ2' ' A' ' 108' ' ' TRP . 43.3 mt-30 -61.14 -41.32 96.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.038 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -73.38 -42.72 61.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.361 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.73 -53.64 54.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.028 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.42 HD12 ' CH2' ' A' ' 140' ' ' TRP . 0.2 OUTLIER -67.28 -31.91 72.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.006 -179.833 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -70.53 -60.07 2.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.169 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 3.9 mtm-85 -60.76 -29.01 69.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.929 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.9 m -66.55 -52.48 45.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 83.3 mt -75.06 -30.68 61.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -67.9 -57.78 5.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.968 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 6.5 mt -75.39 -19.75 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.328 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -74.88 -44.49 24.41 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.516 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -68.62 -41.82 78.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.822 0.344 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -59.78 -33.21 71.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.7 p -85.24 -35.19 21.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -62.45 99.46 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -151.17 -77.15 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.518 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -80.72 -62.68 2.0 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.524 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 10.9 tp -170.34 102.94 0.43 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.564 0.221 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -68.54 100.95 0.71 Allowed 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.48 2.12 . . . . 0.0 112.343 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 1.9 ttpp -141.63 -67.23 0.4 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.22 71.37 0.55 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.004 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -97.15 96.3 8.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 9.4 p -109.85 -24.75 3.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.24 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 62.33 176.44 0.13 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.908 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 19.0 p 53.81 71.29 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.053 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 15.3 t -134.86 147.43 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.073 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 31.3 m -98.6 36.97 1.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.071 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 59.86 95.7 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.34 142.26 36.9 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.464 2.11 . . . . 0.0 112.317 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -105.48 30.03 6.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.96 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 13.5 m 59.66 46.86 11.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -88.55 176.67 7.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 6.3 mt 51.43 79.14 0.36 Allowed Pre-proline 0 C--N 1.331 -0.21 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.244 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.3 166.71 28.4 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.597 2.198 . . . . 0.0 112.351 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.28 176.08 7.65 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.593 2.195 . . . . 0.0 112.362 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . -176.73 -147.65 6.67 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -107.3 -41.53 5.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.331 . . . . 0.0 110.866 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 60.91 111.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.082 0 CA-C-O 118.403 -1.221 . . . . 0.0 112.517 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.41 ' HA ' ' CD2' ' A' ' 136' ' ' HIS . 2.1 mtp . . . . . 0 N--CA 1.488 1.447 0 CA-C-O 120.835 0.35 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.407 ' CD1' ' O ' ' A' ' 88' ' ' MET . 55.8 m-85 -152.07 111.96 4.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.953 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -97.6 169.48 9.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.032 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 9.0 mtm -144.56 -166.52 2.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -119.37 155.44 53.92 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.765 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -87.52 39.57 0.57 Allowed 'Trans proline' 0 N--CA 1.459 -0.502 0 C-N-CA 122.901 2.4 . . . . 0.0 112.684 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -112.55 -15.49 13.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.308 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 40.0 p-90 -53.64 151.55 5.96 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.867 0.365 . . . . 0.0 111.184 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -136.79 149.68 67.63 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.91 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.22 151.44 17.17 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.534 2.156 . . . . 0.0 112.311 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -172.56 -176.4 1.52 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.24 -31.39 70.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.031 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -63.07 -31.81 73.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.42 -50.62 72.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 33.7 mm -69.19 -35.81 69.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.27 -50.5 73.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.808 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.415 HD13 ' CZ2' ' A' ' 108' ' ' TRP . 13.0 mt -68.51 -41.85 79.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.81 -37.54 87.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.163 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.98 -43.02 89.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.185 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 20.0 tp -81.39 -27.95 34.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.818 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.437 ' CD2' ' HG3' ' A' ' 141' ' ' GLN . 26.1 m0 -68.15 -13.48 62.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.279 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 99.41 43.62 2.5 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.5 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 17.5 t -136.61 110.71 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.849 0.357 . . . . 0.0 111.052 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -81.32 116.83 21.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.057 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -75.06 114.02 13.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.62 -31.24 10.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -133.97 159.44 72.39 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.08 165.55 23.74 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.58 2.187 . . . . 0.0 112.247 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 26.5 t -78.41 120.24 28.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.082 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 22.9 p -87.11 153.57 21.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 7.4 m -69.06 -31.38 70.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -60.86 -43.68 98.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -68.57 -45.25 72.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 40.4 mt -61.72 -48.5 80.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.948 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.12 -43.82 97.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.137 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 26.5 p -61.98 -32.63 73.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -70.47 -51.06 31.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 47.3 mt -68.19 -30.49 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.136 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.69 -58.08 6.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.123 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -67.77 -35.38 78.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.983 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . 0.499 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 4.5 t-105 -69.9 -42.08 73.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.707 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -75.37 -36.23 60.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.931 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.3 -44.94 82.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -63.03 -49.3 75.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.982 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 62.7 36.57 93.47 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.421 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -102.19 -162.66 0.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.819 0.342 . . . . 0.0 110.756 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 16.6 t -134.22 141.91 42.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.173 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.499 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 6.6 m-85 -130.17 163.46 26.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . 0.41 ' CD2' ' HA ' ' A' ' 88' ' ' MET . 2.3 m-70 -90.59 178.46 6.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.757 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 33.0 t60 -61.2 -56.39 21.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.818 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 26.5 t -62.77 -34.96 68.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.99 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -63.08 -46.08 89.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.776 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.408 ' CH2' HD11 ' A' ' 144' ' ' LEU . 1.7 t90 -62.83 -38.46 90.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.574 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.437 ' HG3' ' CD2' ' A' ' 108' ' ' TRP . 12.8 tt0 -61.82 -52.61 63.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.831 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -65.86 -30.45 71.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.58 -54.27 45.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.996 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.408 HD11 ' CH2' ' A' ' 140' ' ' TRP . 0.1 OUTLIER -67.17 -42.44 84.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -61.33 -50.62 72.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.049 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.65 -32.45 72.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.765 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.4 t -65.1 -52.53 54.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 9.4 mt -62.41 -30.02 70.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.828 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -65.54 -57.58 7.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 38.7 mm -64.97 -21.76 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.311 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -80.7 -43.66 8.97 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.474 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.56 -45.2 69.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.814 0.34 . . . . 0.0 110.889 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -62.39 -44.68 95.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 45.0 t -69.62 -28.3 65.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 3.6 m120 62.51 161.83 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -157.1 131.54 2.96 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.531 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 175.17 -126.3 1.16 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.533 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.421 ' N ' ' HD2' ' A' ' 159' ' ' PRO . 0.2 OUTLIER -69.91 -60.05 3.96 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 120.561 0.22 . . . . 0.0 111.001 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . 0.421 ' HD2' ' N ' ' A' ' 158' ' ' LEU . 46.6 Cg_endo -68.67 96.51 0.51 Allowed 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.395 2.063 . . . . 0.0 112.303 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 3.3 mttm -79.44 139.26 37.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 8.3 mtt180 -136.54 28.13 3.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.982 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -138.01 145.83 42.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.805 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 4.6 m -146.45 -49.84 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.345 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . 0.408 ' O ' ' CG2' ' A' ' 165' ' ' THR . 46.7 p30 -178.26 -176.42 0.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.099 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' THR . . . . . 0.408 ' CG2' ' O ' ' A' ' 164' ' ' ASN . 9.2 t 44.87 54.08 7.03 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.491 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 4.9 m -94.33 -32.4 4.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.895 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 4.2 m 60.0 170.95 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -122.86 158.22 57.8 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.13 -173.73 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.598 2.199 . . . . 0.0 112.307 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -140.52 141.66 35.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 1.5 p -93.7 125.68 38.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.841 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -78.89 -177.53 5.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.961 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 3.1 mt 54.47 71.7 1.27 Allowed Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.237 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.63 106.56 0.16 Allowed 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.582 2.188 . . . . 0.0 112.356 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -56.32 140.66 88.65 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.507 2.138 . . . . 0.0 112.206 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 164.17 -148.19 14.15 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.543 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER 61.49 168.59 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.867 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.1 178.22 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.441 -1.199 . . . . 0.0 112.439 179.888 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.425 ' HG3' ' CD2' ' A' ' 136' ' ' HIS . 1.6 mtp . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.71 0.291 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -167.16 124.94 1.26 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.914 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -88.67 108.87 19.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.249 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 18.1 mtp -76.8 -174.64 3.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -113.38 163.5 18.18 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.682 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -86.11 38.08 0.58 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.836 2.357 . . . . 0.0 112.649 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.15 -17.57 12.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.306 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.405 ' O ' ' CE3' ' A' ' 95' ' ' TRP . 37.8 p-90 -52.42 137.29 29.85 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.831 0.348 . . . . 0.0 111.294 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -132.35 167.68 21.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.833 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.41 145.92 54.73 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.491 2.128 . . . . 0.0 112.353 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -165.73 -170.97 1.93 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.76 -42.07 96.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.048 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -60.19 -31.85 70.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -64.53 -42.71 95.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 34.1 mt -75.29 -33.22 27.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -53.22 41.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.452 ' CD2' ' CZ2' ' A' ' 108' ' ' TRP . 6.9 mp -64.41 -42.79 95.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.782 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.98 -41.5 98.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.113 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.1 -34.65 76.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 19.7 tp -81.52 -31.55 32.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.673 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.452 ' CZ2' ' CD2' ' A' ' 104' ' ' LEU . 51.5 m0 -72.62 -13.41 61.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.307 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 105.53 47.3 1.13 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.439 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.5 t -139.23 114.28 8.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.766 0.317 . . . . 0.0 111.2 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -104.96 118.79 37.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.042 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.8 150.83 42.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.86 -44.58 4.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.5 163.26 17.37 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.01 145.16 66.69 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.583 2.189 . . . . 0.0 112.362 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 21.2 t -62.68 139.96 20.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.096 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 22.9 p -75.82 157.69 33.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.825 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 11.7 p -70.92 -28.63 64.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -57.78 -42.13 83.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.036 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -67.02 -44.27 80.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 11.0 mp -65.54 -46.69 78.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.985 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.24 -38.11 89.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.061 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 22.6 m -68.87 -33.43 73.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.403 ' CZ ' HD13 ' A' ' 144' ' ' LEU . 1.4 t80 -69.58 -43.51 72.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 26.9 mt -69.67 -33.5 56.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.17 -49.26 70.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.03 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -73.53 -31.91 63.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . 0.504 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 5.2 t-105 -67.26 -45.98 75.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.717 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -76.05 -34.0 59.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.43 -30.81 64.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.079 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -68.53 -39.9 80.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 59.77 45.49 95.67 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.525 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.46 -164.76 1.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.836 0.35 . . . . 0.0 110.766 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 4.3 t -141.21 142.11 29.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.998 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.504 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 3.6 m-85 -132.48 160.03 37.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.865 0.364 . . . . 0.0 111.05 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . 0.425 ' CD2' ' HG3' ' A' ' 88' ' ' MET . 0.5 OUTLIER -87.83 177.61 6.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.768 179.817 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -63.0 -46.26 88.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 21.3 t -63.32 -37.97 80.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.937 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -66.86 -32.4 73.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.687 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 9.4 t90 -69.39 -43.83 72.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.427 ' HB2' ' CD2' ' A' ' 108' ' ' TRP . 2.9 pt20 -73.83 -30.46 62.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.959 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -75.03 -46.92 31.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.03 -54.41 38.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.935 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.403 HD13 ' CZ ' ' A' ' 124' ' ' PHE . 0.2 OUTLIER -58.97 -48.0 83.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.011 -179.83 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -59.11 -52.7 64.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.11 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -30.53 71.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.963 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 5.7 t -69.68 -48.0 61.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 3.4 mt -66.39 -29.65 69.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -66.96 -57.85 6.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.052 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -67.43 -27.25 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.297 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -65.53 -47.99 72.57 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.438 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -81.49 -32.09 32.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.815 0.341 . . . . 0.0 110.886 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -68.86 -35.18 76.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 58.1 m -85.63 -31.79 22.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -92.31 147.83 22.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 166.2 83.09 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.492 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 156.06 101.47 0.19 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.489 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 1.2 tp -121.19 128.05 25.89 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 120.592 0.234 . . . . 0.0 110.785 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -72.97 74.85 2.84 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.452 2.102 . . . . 0.0 112.267 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 7.8 mttp 63.01 145.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.42 92.93 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -129.66 139.03 51.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 12.6 p -137.68 -45.39 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -114.04 159.68 19.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 1.4 m 60.75 92.72 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 21.5 t -132.08 -46.06 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.176 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 3.3 m -152.9 80.2 1.21 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -120.08 87.52 39.31 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.903 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.65 81.4 1.04 Allowed 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.505 2.137 . . . . 0.0 112.337 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -176.87 -48.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 8.6 p 61.63 149.16 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.022 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 62.45 119.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.021 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . 0.464 ' HB ' ' HD3' ' A' ' 174' ' ' PRO . 15.9 mt -81.44 -47.84 1.05 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.478 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' PRO . . . . . 0.464 ' HD3' ' HB ' ' A' ' 173' ' ' ILE . 88.2 Cg_endo -82.53 165.43 16.14 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.439 2.093 . . . . 0.0 112.456 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -71.97 110.76 3.0 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.681 2.254 . . . . 0.0 112.287 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . -121.96 -162.09 11.5 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.477 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -88.28 -46.23 9.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.859 0.361 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 10.8 ttm180 61.15 83.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.398 -1.223 . . . . 0.0 112.532 -179.967 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.788 0.328 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -160.12 120.69 2.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -81.08 -179.88 7.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.03 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -173.77 -165.84 0.27 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.812 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 10.4 p90 -114.46 149.41 42.14 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.623 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -84.93 35.49 0.53 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.72 2.28 . . . . 0.0 112.787 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -113.19 9.99 18.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.477 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.444 ' CZ2' HG12 ' A' ' 125' ' ' ILE . 38.0 p-90 -71.88 140.14 49.16 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 120.849 0.357 . . . . 0.0 110.852 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -107.68 145.43 31.31 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.32 143.74 52.31 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.546 2.164 . . . . 0.0 112.318 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -152.45 -176.85 5.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.29 -30.64 68.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.137 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -59.49 -32.31 70.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.96 -52.94 62.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 19.5 mt -73.03 -30.55 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.027 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.45 -52.22 59.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.945 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.465 ' CD2' ' CZ2' ' A' ' 108' ' ' TRP . 6.9 mp -66.24 -46.25 77.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.71 -32.16 73.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.28 -32.74 49.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.159 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 17.5 tp -81.47 -30.99 33.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.672 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.465 ' CZ2' ' CD2' ' A' ' 104' ' ' LEU . 52.9 m0 -74.84 -13.42 60.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.235 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 95.75 35.38 5.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.539 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.5 t -112.61 110.64 32.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.833 0.349 . . . . 0.0 111.088 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -120.06 129.8 54.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.091 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.4 mp -102.6 159.22 15.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -101.28 -40.53 7.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -123.88 160.58 51.01 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.79 125.06 11.69 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.593 2.195 . . . . 0.0 112.322 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 27.9 t -75.29 158.49 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.97 170.4 7.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.943 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 71.8 p -61.87 -23.2 66.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.062 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -53.56 -43.56 68.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.1 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -65.75 -49.01 69.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 13.4 mt -60.39 -49.99 75.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.45 -32.65 70.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.17 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.05 -41.93 85.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.99 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -67.03 -48.04 69.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.008 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.444 HG12 ' CZ2' ' A' ' 95' ' ' TRP . 49.2 mt -59.89 -43.96 93.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.023 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.43 -45.56 91.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.053 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -67.56 -35.51 79.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . 0.424 ' CE3' ' CE2' ' A' ' 135' ' ' PHE . 6.5 t-105 -65.95 -52.33 50.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.772 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.07 -30.48 66.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.937 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.34 -40.4 62.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.119 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -59.95 -39.57 86.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 59.47 38.08 93.01 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.412 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.14 -165.4 1.4 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.822 0.344 . . . . 0.0 110.824 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 20.2 t -131.92 141.96 44.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.107 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.424 ' CE2' ' CE3' ' A' ' 128' ' ' TRP . 6.0 m-85 -128.44 156.96 42.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.987 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . 0.416 ' CD2' ' N ' ' A' ' 136' ' ' HIS . 5.2 m170 -87.7 171.81 10.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -67.13 -45.1 78.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.819 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.14 -32.88 57.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.996 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -71.25 -38.96 71.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.757 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.423 ' CH2' HD13 ' A' ' 144' ' ' LEU . 25.3 t90 -65.58 -44.29 87.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.811 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.446 ' HB3' ' CZ2' ' A' ' 108' ' ' TRP . 4.2 pt20 -70.93 -42.89 69.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.043 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -62.96 -50.57 70.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.256 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.58 -54.16 50.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.293 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.423 HD13 ' CH2' ' A' ' 140' ' ' TRP . 0.2 OUTLIER -57.93 -43.79 86.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.219 -179.674 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -66.84 -60.12 2.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.42 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 1.2 mmt-85 -58.46 -30.29 66.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.162 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 36.9 t -71.1 -52.64 18.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.057 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 65.8 mt -59.79 -30.04 68.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -54.27 15.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 28.5 mm -69.54 -20.51 23.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.329 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -74.68 -47.07 16.1 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.477 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -70.92 -27.96 64.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.808 0.337 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -55.06 -30.47 59.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.257 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.47 -41.78 6.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 59.93 31.77 20.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 103.7 169.46 25.45 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.498 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -172.26 -81.03 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.497 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.405 ' N ' ' HD2' ' A' ' 159' ' ' PRO . 4.0 mm? -69.89 -61.26 3.07 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 120.633 0.254 . . . . 0.0 110.962 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . 0.405 ' HD2' ' N ' ' A' ' 158' ' ' LEU . 46.5 Cg_endo -68.63 154.51 71.32 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.433 2.088 . . . . 0.0 112.284 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -114.7 -178.32 3.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -64.51 109.46 1.97 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.81 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.79 114.01 14.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 21.4 t -101.2 120.39 50.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 18.2 p-10 -67.24 124.38 22.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 22.4 p 53.26 86.05 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 10.7 p -136.58 141.65 40.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 4.3 t -140.92 138.86 34.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.843 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' GLU . . . . . 0.425 ' CB ' ' HD3' ' A' ' 169' ' ' PRO . 0.4 OUTLIER -67.11 -52.11 32.32 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.924 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' PRO . . . . . 0.425 ' HD3' ' CB ' ' A' ' 168' ' ' GLU . 24.0 Cg_exo -63.5 104.59 0.45 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.495 2.13 . . . . 0.0 112.127 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -161.11 150.17 16.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.928 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.23 165.21 14.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -129.25 74.3 1.57 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . 0.498 ' N ' ' CD ' ' A' ' 174' ' ' PRO . 1.7 mp -83.52 -45.89 0.81 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.406 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 173' ' ' ILE . 33.6 Cg_exo -58.12 140.28 93.55 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.38 2.054 . . . . 0.0 112.19 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.61 114.29 3.93 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.445 2.096 . . . . 0.0 112.357 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 177.8 -164.45 33.43 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.592 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -146.49 -54.54 0.25 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.79 0.329 . . . . 0.0 110.932 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 54.7 mtm-85 -86.6 -33.86 20.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.09 0 CA-C-O 118.355 -1.247 . . . . 0.0 112.506 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.421 ' HG3' ' CE1' ' A' ' 136' ' ' HIS . 6.3 mtp . . . . . 0 N--CA 1.489 1.483 0 CA-C-O 120.835 0.35 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -146.74 110.39 4.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.77 104.68 10.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.126 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 4.4 mmm -76.79 -170.49 1.61 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -115.06 141.98 27.81 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.545 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -84.92 34.12 0.5 Allowed 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.683 2.256 . . . . 0.0 112.899 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.24 -8.54 13.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.385 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 50.0 p-90 -53.53 140.26 28.87 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 120.936 0.398 . . . . 0.0 111.191 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -103.94 154.62 37.96 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.822 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.86 141.05 63.52 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.562 2.175 . . . . 0.0 112.254 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -157.15 179.41 9.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.03 -29.76 71.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.136 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -58.65 -31.31 68.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.407 ' CZ ' HD13 ' A' ' 144' ' ' LEU . 0.3 OUTLIER -64.73 -44.11 91.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.402 HD13 HG23 ' A' ' 102' ' ' ILE . 32.9 mt -73.9 -34.49 39.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.085 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.47 -55.38 34.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.415 HD12 ' CZ2' ' A' ' 108' ' ' TRP . 15.9 mt -63.9 -44.5 92.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.53 -42.49 98.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.137 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.32 -38.88 91.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 18.4 tp -81.54 -31.28 32.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.729 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.425 ' CG ' ' HG3' ' A' ' 141' ' ' GLN . 46.5 m0 -70.96 -13.43 62.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.311 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 109.27 43.12 1.2 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.454 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.6 t -128.49 118.39 47.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.789 0.328 . . . . 0.0 111.117 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -118.18 95.52 4.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 23.0 mt -93.66 128.5 39.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.956 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -60.55 2.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -90.55 160.72 38.45 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.3 173.16 0.13 Allowed 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.557 2.171 . . . . 0.0 112.35 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 11.3 p -77.09 123.72 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.163 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -93.07 160.59 14.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.25 -29.25 63.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.96 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -57.03 -47.3 81.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.08 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -66.82 -44.33 81.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.808 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 13.2 mt -62.81 -51.78 65.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -58.39 -33.63 69.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 15.0 t -64.84 -47.37 78.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.424 ' CE1' ' HG ' ' A' ' 144' ' ' LEU . 54.1 t80 -62.69 -48.04 81.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.949 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 54.9 mt -64.19 -32.89 59.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.996 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.51 -41.5 93.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -77.0 -35.76 56.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . 0.502 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 8.7 t-105 -66.39 -38.5 87.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.793 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -74.0 -43.71 57.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.25 -31.37 69.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.067 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.46 -49.98 71.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 58.72 34.04 75.34 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.562 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.33 -164.13 0.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.775 0.321 . . . . 0.0 110.796 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 4.8 t -139.14 142.07 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.502 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 0.6 OUTLIER -139.77 171.17 14.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.948 -179.894 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . 0.421 ' CE1' ' HG3' ' A' ' 88' ' ' MET . 4.1 m-70 -95.32 -169.08 1.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.623 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . 0.446 ' CE1' ' CG2' ' A' ' 138' ' ' VAL . 7.8 p80 -71.3 -45.14 63.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.713 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.446 ' CG2' ' CE1' ' A' ' 137' ' ' HIS . 21.7 t -63.97 -43.06 97.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.972 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -60.79 -38.94 87.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.766 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.422 ' CZ3' HD12 ' A' ' 144' ' ' LEU . 1.1 t90 -67.7 -34.67 77.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.574 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.425 ' HG3' ' CG ' ' A' ' 108' ' ' TRP . 13.1 tt0 -65.14 -58.07 6.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.919 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -60.47 -35.3 75.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.975 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt -65.06 -54.06 36.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.968 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.424 ' HG ' ' CE1' ' A' ' 124' ' ' PHE . 0.4 OUTLIER -65.28 -42.05 93.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.007 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -58.65 -60.01 4.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.229 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 31.7 mtt85 -59.05 -30.13 67.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.042 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 10.6 t -70.47 -36.66 74.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 14.5 mt -79.91 -35.23 38.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.959 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.56 -49.73 24.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.964 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 23.9 mt -81.77 -20.58 10.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.392 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -79.81 -41.61 12.41 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.78 -31.25 61.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.815 0.341 . . . . 0.0 110.937 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -75.18 -30.52 60.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 27.1 m -90.97 -34.05 15.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -116.86 48.39 1.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -145.98 28.09 1.72 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.442 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -107.43 -27.09 5.4 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.546 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.94 108.16 44.72 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 120.544 0.211 . . . . 0.0 110.889 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -50.5 173.43 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.403 2.069 . . . . 0.0 112.448 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.93 114.08 18.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -93.6 162.11 14.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -126.72 152.75 46.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 11.1 p -141.57 140.95 30.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 25.7 m120 60.68 162.99 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 3.2 t -94.73 104.51 16.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 3.7 m -97.99 84.05 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.185 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.63 35.43 4.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -138.42 149.82 64.27 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.93 78.37 1.07 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.527 2.152 . . . . 0.0 112.261 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.29 -31.77 7.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.819 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.0 -80.04 0.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.884 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -178.71 114.7 0.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 2.4 mp 48.25 85.21 0.18 Allowed Pre-proline 0 CA--C 1.53 0.2 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.341 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.2 148.56 31.32 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.506 2.137 . . . . 0.0 112.308 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.61 -60.03 0.79 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.488 2.125 . . . . 0.0 112.299 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . -59.23 104.49 0.54 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.549 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -84.93 110.93 19.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.75 0.31 . . . . 0.0 110.854 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 7.0 mmt180 -78.68 -51.34 9.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.845 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.027 0 CA-C-O 118.341 -1.255 . . . . 0.0 112.472 -179.969 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.425 ' HA ' ' CG ' ' A' ' 136' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.856 0.36 . . . . 0.0 111.195 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -139.66 110.54 6.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.938 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -106.17 179.57 4.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 7.0 ptp -174.01 -172.56 0.73 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.809 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -94.44 163.68 22.25 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.685 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -87.11 39.59 0.61 Allowed 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 122.837 2.358 . . . . 0.0 112.57 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -110.38 -9.14 14.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.712 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.467 ' CZ2' HG12 ' A' ' 125' ' ' ILE . 29.1 p-90 -61.47 145.91 50.26 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 120.793 0.33 . . . . 0.0 110.945 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -120.42 154.13 56.44 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -68.84 146.12 64.82 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.638 2.225 . . . . 0.0 112.271 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.0 -171.14 3.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.76 -33.68 72.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.075 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -60.53 -30.89 70.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.416 ' CE1' HG22 ' A' ' 116' ' ' VAL . 9.3 t80 -60.54 -50.22 74.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 33.8 mt -76.16 -35.73 29.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.175 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -46.14 83.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 18.1 mt -69.54 -43.45 72.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.3 -34.92 74.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.59 -39.12 88.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.045 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 20.2 tp -81.44 -29.67 33.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.755 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.42 ' CD2' ' HB2' ' A' ' 141' ' ' GLN . 52.0 m0 -73.03 -13.44 61.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.28 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 107.0 47.97 0.98 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.591 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.6 t -141.11 125.68 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.82 0.343 . . . . 0.0 111.148 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -111.04 104.35 12.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.052 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 45.3 mt -118.93 118.36 31.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.31 -34.11 63.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.2 163.41 20.13 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -65.04 174.51 4.74 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.532 2.155 . . . . 0.0 112.265 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.416 HG22 ' CE1' ' A' ' 101' ' ' PHE . 21.1 t -67.1 154.71 7.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.138 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.55 161.16 13.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.872 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.5 p -65.7 -42.81 90.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -59.01 -40.17 84.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -48.42 72.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.7 -40.9 88.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.09 -37.23 79.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.124 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.2 m -74.03 -35.08 64.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.775 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -66.1 -58.85 4.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.941 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.467 HG12 ' CZ2' ' A' ' 95' ' ' TRP . 63.6 mt -60.38 -41.47 87.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.72 -59.07 6.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.081 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -64.26 -30.95 71.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.745 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . 0.501 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 9.2 t-105 -67.09 -41.89 85.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.766 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -76.3 -42.99 43.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.43 -30.83 71.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.071 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.65 -49.95 75.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 67.96 37.24 87.67 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.521 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -129.12 -166.18 1.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.752 0.31 . . . . 0.0 110.753 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.8 t -130.99 142.06 44.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.048 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.501 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 12.9 m-85 -124.54 148.17 47.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.957 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . 0.425 ' CG ' ' HA ' ' A' ' 88' ' ' MET . 1.8 m-70 -88.34 -173.3 4.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 21.3 m-70 -67.74 -44.01 78.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 26.5 t -67.71 -40.76 84.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.044 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -66.13 -36.75 83.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 13.9 t90 -65.88 -45.28 82.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.42 ' HB2' ' CD2' ' A' ' 108' ' ' TRP . 4.2 pt20 -73.06 -41.0 64.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.068 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.38 -49.9 67.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.04 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.31 -53.21 60.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.97 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.55 -47.84 83.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.93 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -60.42 -43.96 96.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.64 -29.09 66.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.95 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.2 m -72.08 -44.35 63.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.972 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 34.7 mt -71.61 -36.1 70.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.976 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -63.66 -56.04 18.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.0 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.401 HD12 HG22 ' A' ' 150' ' ' ILE . 29.7 mt -78.02 -19.68 13.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.412 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -74.54 -32.39 57.65 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.548 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.71 -27.88 33.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.763 0.316 . . . . 0.0 111.012 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -74.67 -58.44 3.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.44 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.92 -41.84 6.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.147 -179.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 57.6 t30 63.48 67.18 0.66 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.814 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 130.54 -93.63 0.31 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.44 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 164.42 78.16 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.453 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 7.6 mt -90.56 142.33 27.93 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.604 0.24 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.85 92.84 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.541 2.16 . . . . 0.0 112.224 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -31.48 72.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.832 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -169.44 78.62 0.11 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.795 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -91.5 105.48 17.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 11.2 p -167.62 -43.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -166.03 160.44 16.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 20.2 p 50.03 47.83 22.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.246 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 21.7 t -139.1 127.75 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 32.3 m -148.84 22.15 0.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 63.03 132.2 0.03 OUTLIER Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -77.99 57.95 6.33 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.494 2.13 . . . . 0.0 112.434 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -117.62 -39.32 3.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.955 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 3.2 t -143.88 125.42 14.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.957 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -132.21 167.64 19.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 23.8 mm -98.72 111.86 61.31 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.071 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -48.03 104.71 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.533 2.155 . . . . 0.0 112.51 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.72 -45.13 0.8 Allowed 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.541 2.161 . . . . 0.0 112.259 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 81.62 87.63 0.66 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.43 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -70.32 172.26 8.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.817 0.342 . . . . 0.0 110.923 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 14.5 ttm-85 -135.39 103.83 5.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.853 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.083 0 CA-C-O 118.378 -1.234 . . . . 0.0 112.542 179.956 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 8.7 ptp . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.739 0.304 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 55.7 p90 -164.42 123.19 1.84 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.011 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -105.79 -179.97 4.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.089 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.09 -166.84 1.5 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.968 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -100.26 158.54 31.79 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.467 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -83.44 35.58 0.57 Allowed 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.619 2.213 . . . . 0.0 112.977 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -113.53 -8.61 13.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.467 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 37.9 p-90 -54.81 157.85 2.94 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 120.913 0.387 . . . . 0.0 111.417 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -128.84 139.54 35.94 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.733 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.2 172.46 0.15 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.478 2.118 . . . . 0.0 112.323 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -169.05 -171.49 1.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.94 -30.47 70.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -64.71 -33.5 76.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.93 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.2 -54.71 42.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.836 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 5.2 mt -64.24 -42.36 95.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -48.9 79.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.939 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.452 ' CD2' ' CZ2' ' A' ' 108' ' ' TRP . 7.7 mp -68.82 -38.54 79.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.99 -39.21 88.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.55 -30.64 47.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.149 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 17.5 tp -81.46 -30.69 33.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.702 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.452 ' CZ2' ' CD2' ' A' ' 104' ' ' LEU . 49.6 m0 -73.05 -13.42 61.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.309 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 101.74 44.04 2.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.606 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.3 t -141.61 117.86 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.761 0.315 . . . . 0.0 111.056 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -100.99 124.23 46.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.117 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.5 mp -118.26 110.45 17.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -95.82 -35.75 11.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.841 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.51 154.13 50.89 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -69.11 135.14 31.17 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.573 2.182 . . . . 0.0 112.285 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 11.0 p -59.58 144.8 12.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.057 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 40.6 p -103.09 151.17 22.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.9 t -64.86 -31.48 72.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.56 -36.51 84.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -70.91 -50.7 32.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 19.8 mt -63.28 -47.12 83.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.79 -39.66 85.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 57.3 p -62.11 -43.75 98.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.41 ' CZ ' ' HG ' ' A' ' 144' ' ' LEU . 45.2 t80 -60.78 -48.48 81.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.937 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 59.3 mt -62.44 -32.88 56.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.03 -51.32 68.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.95 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -67.15 -32.02 72.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.693 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . 0.495 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 7.9 t-105 -67.74 -40.72 84.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.635 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -76.93 -35.29 57.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -76.5 -28.15 56.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.17 -42.65 91.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.833 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 60.88 45.2 97.0 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.447 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -142.71 -175.08 4.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.802 0.334 . . . . 0.0 110.564 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 12.1 t -130.51 142.11 44.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.066 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.495 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 2.1 m-85 -126.63 164.04 22.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.926 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . 0.429 ' N ' ' CD2' ' A' ' 136' ' ' HIS . 4.4 m170 -92.13 174.05 7.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.749 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -64.72 -48.81 73.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.747 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.39 -35.36 75.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.025 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -73.21 -34.56 65.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.409 ' CZ3' HD13 ' A' ' 144' ' ' LEU . 3.7 t90 -69.0 -36.17 77.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.028 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.448 ' HB3' ' CE2' ' A' ' 108' ' ' TRP . 3.6 pt20 -73.83 -42.16 61.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.23 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -75.2 -28.31 59.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.229 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -75.76 -40.21 55.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.978 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.41 ' HG ' ' CZ ' ' A' ' 124' ' ' PHE . 0.5 OUTLIER -70.18 -44.31 69.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.947 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -63.64 -56.48 15.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.109 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -60.23 -30.73 69.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 4.0 m -67.95 -43.89 78.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.937 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 95.1 mt -74.48 -35.01 63.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -67.08 -51.79 50.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.995 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 30.3 mt -80.3 -19.21 12.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.39 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -76.35 -41.64 25.2 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.513 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.25 -31.56 58.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.841 0.353 . . . . 0.0 110.932 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -63.63 -45.48 90.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.029 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 66.6 m -79.57 -31.69 41.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -77.22 -63.82 1.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 86.14 43.32 6.34 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.487 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 82.46 129.14 1.24 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.531 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 2.4 mp -119.77 88.83 40.54 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 120.753 0.311 . . . . 0.0 110.819 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -69.2 148.0 67.76 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.575 2.183 . . . . 0.0 112.325 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 14.9 ttpt -102.37 134.2 46.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 24.1 mtt85 -135.27 71.09 1.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.783 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.42 88.4 2.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 11.2 m -147.87 126.04 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 63.79 138.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 60.84 37.1 18.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 21.3 t -86.04 -36.36 10.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.081 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 60.72 158.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.771 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -92.98 145.6 30.43 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.965 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.66 158.16 51.08 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.547 2.164 . . . . 0.0 112.293 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 63.42 129.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.0 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 5.8 m -109.76 -29.56 8.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.96 71.97 2.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . 0.461 ' N ' ' CD ' ' A' ' 174' ' ' PRO . 2.5 mp -81.85 -47.29 1.01 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.53 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' PRO . . . . . 0.461 ' CD ' ' N ' ' A' ' 173' ' ' ILE . 85.8 Cg_endo -82.27 168.53 14.91 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.299 1.999 . . . . 0.0 112.417 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.29 -22.64 25.12 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.505 2.137 . . . . 0.0 112.344 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . -107.81 -145.82 12.14 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.572 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -84.26 -174.95 5.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.829 0.347 . . . . 0.0 110.983 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.41 147.1 1.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.42 -1.211 . . . . 0.0 112.553 -179.918 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.427 ' HA ' ' CE1' ' A' ' 136' ' ' HIS . 47.9 mtm . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.817 0.341 . . . . 0.0 111.177 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -148.58 108.17 3.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -88.43 104.41 16.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.181 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 6.5 ptm -82.27 -167.59 1.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 18.6 p90 -117.23 143.43 31.85 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.524 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -84.91 31.94 0.49 Allowed 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.744 2.296 . . . . 0.0 112.992 -179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.27 19.63 16.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.343 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.429 ' CZ2' HG12 ' A' ' 125' ' ' ILE . 27.7 p-90 -77.1 142.4 39.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.804 0.335 . . . . 0.0 111.007 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -110.48 158.91 34.07 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.766 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -66.89 141.65 59.61 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.534 2.156 . . . . 0.0 112.284 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -162.81 -174.81 4.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.69 -32.2 72.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -59.22 -36.59 75.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.18 -47.91 82.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 28.6 mt -74.43 -30.42 25.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.057 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.33 -52.62 38.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.77 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.451 ' CD2' ' CZ2' ' A' ' 108' ' ' TRP . 6.0 mp -66.0 -38.02 87.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.94 -43.91 97.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.131 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.4 -30.7 60.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.278 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 19.3 tp -81.37 -31.62 33.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.723 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.451 ' CZ2' ' CD2' ' A' ' 104' ' ' LEU . 39.6 m0 -73.76 -13.41 60.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.261 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 106.1 27.77 5.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.51 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.2 t -119.93 111.17 31.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.835 0.35 . . . . 0.0 111.115 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -117.59 98.16 6.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.7 mt -93.79 120.64 34.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.779 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.81 -39.11 57.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.45 140.49 22.05 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.826 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.82 144.22 55.95 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.457 2.105 . . . . 0.0 112.29 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 12.7 p -72.86 135.29 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.074 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 38.7 p -80.21 150.66 30.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.3 t -63.61 -30.18 71.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -57.67 -38.38 75.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.003 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -67.88 -43.16 79.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.803 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.86 -48.09 69.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.85 -40.74 98.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.089 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.1 m -65.3 -41.2 94.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -61.47 -52.38 64.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.867 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.429 HG12 ' CZ2' ' A' ' 95' ' ' TRP . 16.8 mt -67.29 -32.0 55.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.027 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.35 -47.39 86.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.066 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -76.05 -31.0 58.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . 0.509 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 7.5 t-105 -70.69 -40.73 72.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.812 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.56 -31.42 53.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.872 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.1 -37.49 64.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -73.03 -46.81 49.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.93 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 63.2 29.42 74.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.371 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.36 -159.47 0.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.69 0.281 . . . . 0.0 110.666 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 13.1 t -140.02 141.96 32.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.141 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.509 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 6.8 m-85 -132.83 171.1 14.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.911 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . 0.427 ' CE1' ' HA ' ' A' ' 88' ' ' MET . 4.1 m-70 -103.04 175.93 5.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.677 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . 0.459 ' CD2' ' CG2' ' A' ' 138' ' ' VAL . 32.9 p-80 -65.62 -51.73 57.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.766 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.459 ' CG2' ' CD2' ' A' ' 137' ' ' HIS . 25.7 t -64.71 -34.04 67.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.998 0.428 . . . . 0.0 110.799 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.57 -56.55 18.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.723 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.416 ' CH2' HD12 ' A' ' 144' ' ' LEU . 3.1 t90 -58.59 -33.16 69.67 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.731 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.446 ' HG3' ' CD2' ' A' ' 108' ' ' TRP . 11.6 tt0 -66.24 -52.16 50.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.155 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -69.77 -41.1 75.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.439 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.8 -54.37 47.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.222 -179.689 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.416 HD12 ' CH2' ' A' ' 140' ' ' TRP . 0.2 OUTLIER -61.95 -43.12 99.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.079 -179.898 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -62.95 -41.13 99.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.286 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -75.79 -25.79 56.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.172 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.76 -41.77 67.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.039 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 70.9 mt -75.92 -39.76 55.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.13 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -69.42 -56.25 7.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 21.1 mt -74.32 -20.46 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.423 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -74.45 -42.44 33.77 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.542 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.82 -31.38 35.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.688 0.28 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -69.07 -53.65 19.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.11 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.2 m -81.36 -33.69 32.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.965 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 60.74 31.26 20.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.978 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 125.38 -76.02 0.39 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.493 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 145.07 104.86 0.46 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.548 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 6.8 mp -85.4 160.39 54.15 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 120.662 0.268 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -69.0 126.12 13.41 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.502 2.135 . . . . 0.0 112.258 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.28 -71.28 0.25 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -125.41 41.49 3.5 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -132.75 118.86 19.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 22.0 t -126.11 -68.33 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.147 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -178.33 57.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 4.1 m 60.23 100.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 8.0 p -151.17 -46.32 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.021 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 9.5 t 53.56 45.58 27.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.203 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -167.29 140.22 2.84 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.806 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -75.96 143.66 26.36 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.522 2.148 . . . . 0.0 112.396 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -87.8 79.73 8.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.788 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 80.9 p -111.2 -33.14 6.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -92.23 159.66 15.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 3.5 mt -104.32 110.25 63.9 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -67.87 152.67 76.99 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.407 2.072 . . . . 0.0 112.252 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -68.43 -47.69 1.43 Allowed 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.602 2.201 . . . . 0.0 112.321 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 85.71 -101.42 2.56 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.498 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 1.2 t80 61.06 59.56 1.99 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.823 0.344 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.59 151.6 40.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.398 -1.224 . . . . 0.0 112.476 179.944 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.408 ' HA ' ' CD2' ' A' ' 136' ' ' HIS . 29.2 mtm . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.78 0.324 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -154.72 99.53 2.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.6 -179.81 5.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.038 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.66 -163.72 1.31 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.735 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.444 ' N ' ' CD1' ' A' ' 92' ' ' TYR . 1.8 p90 -133.9 155.45 80.24 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.39 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -84.47 20.66 1.19 Allowed 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.765 2.31 . . . . 0.0 113.106 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.15 20.81 15.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.506 0.193 . . . . 0.0 111.471 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.41 ' O ' ' CE3' ' A' ' 95' ' ' TRP . 70.3 p-90 -74.82 118.0 17.3 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 120.828 0.347 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -95.59 155.35 38.69 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.56 157.66 6.92 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.575 2.183 . . . . 0.0 112.293 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -167.61 165.26 14.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.959 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.47 -36.01 75.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -62.59 -33.14 74.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -60.29 -55.12 37.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 34.8 mm -66.86 -35.95 76.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.058 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.45 -53.78 49.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.417 HD22 ' CE2' ' A' ' 108' ' ' TRP . 17.3 mt -61.58 -43.02 99.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.976 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.08 -46.01 89.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.51 -35.84 80.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 17.9 tp -81.47 -31.3 33.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.749 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.44 ' CD2' ' HG3' ' A' ' 141' ' ' GLN . 47.1 m0 -72.06 -13.38 61.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.241 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 107.71 47.57 0.96 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.474 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.8 t -141.63 115.74 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.87 0.367 . . . . 0.0 111.112 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -105.55 98.28 7.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.01 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.8 mt -89.64 118.81 29.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.041 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.33 -60.7 1.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -90.88 165.51 21.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.918 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -63.95 137.08 55.86 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.548 2.165 . . . . 0.0 112.203 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 19.5 t -56.96 145.95 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -88.03 152.73 21.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.821 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.0 t -63.93 -36.49 84.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -60.21 -35.44 75.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -73.42 -43.43 60.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.1 -50.42 61.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.1 -35.67 81.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.224 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 27.5 t -61.58 -47.44 85.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.959 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -62.92 -44.4 96.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.006 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 24.3 mt -70.13 -29.97 41.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.1 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.94 -50.85 67.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.076 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -70.25 -32.8 70.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . 0.46 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 3.9 t-105 -66.4 -47.03 74.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.765 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -76.43 -34.47 58.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.849 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.36 -34.62 78.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.057 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -72.53 -45.29 60.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 59.31 45.74 94.96 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.455 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -127.85 -165.44 1.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.81 0.338 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 11.1 t -124.55 142.03 42.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.088 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.46 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 10.0 m-85 -129.4 170.29 13.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . 0.408 ' CD2' ' HA ' ' A' ' 88' ' ' MET . 1.9 m-70 -97.06 162.2 13.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . 0.411 ' CE1' HG23 ' A' ' 138' ' ' VAL . 9.8 p80 -59.47 -45.08 92.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.411 HG23 ' CE1' ' A' ' 137' ' ' HIS . 21.4 t -60.51 -33.84 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.182 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -67.49 -44.12 79.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.405 ' CZ2' HD13 ' A' ' 144' ' ' LEU . 2.1 t90 -65.63 -30.72 71.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.915 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.44 ' HG3' ' CD2' ' A' ' 108' ' ' TRP . 11.7 tt0 -69.68 -49.42 53.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.096 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -74.63 -41.02 61.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.241 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 13.5 mmmt -58.92 -54.23 49.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.185 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.405 HD13 ' CZ2' ' A' ' 140' ' ' TRP . 0.1 OUTLIER -69.65 -32.92 71.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.13 -179.813 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -66.66 -58.86 4.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.177 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -65.67 -26.25 67.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.049 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 45.6 t -74.55 -35.17 63.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.062 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 11.5 mt -78.08 -51.57 10.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.113 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -60.04 -45.13 93.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.0 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 44.7 mt -80.64 -23.64 11.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.212 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -81.6 -28.04 44.83 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.524 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 29.2 ttp85 -70.39 -36.92 74.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.872 0.368 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -77.46 -38.08 50.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.054 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 69.8 p -69.28 -33.46 73.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.924 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -128.94 103.13 6.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.903 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -135.26 -75.51 0.08 OUTLIER Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.516 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -120.25 -131.57 4.15 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.495 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 15.3 tp -134.18 137.54 28.38 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.63 0.253 . . . . 0.0 110.748 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -74.51 58.61 4.58 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.474 2.116 . . . . 0.0 112.417 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 175.18 87.07 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.709 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -171.93 -39.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.09 0.471 . . . . 0.0 111.02 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.52 85.93 2.26 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.828 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 25.7 t -117.84 -33.3 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.207 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -61.29 84.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.99 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 16.0 m 56.91 50.15 12.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.028 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 11.3 p -72.55 -37.06 55.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 54.3 m -81.81 160.82 23.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.874 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -166.24 87.88 0.87 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_exo -51.87 109.83 0.37 Allowed 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.637 2.225 . . . . 0.0 112.287 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 15.6 p30 -146.27 36.39 1.0 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 51.8 p -143.81 117.76 9.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -76.71 90.47 3.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.98 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 22.3 mt -113.92 88.62 14.67 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.094 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.21 139.1 54.18 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.549 2.166 . . . . 0.0 112.199 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -74.62 124.42 8.8 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.532 2.155 . . . . 0.0 112.351 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 173.12 65.33 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.535 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -154.54 108.64 2.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.771 0.32 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -146.08 140.21 26.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.416 -1.213 . . . . 0.0 112.505 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.438 ' HG3' ' CD2' ' A' ' 136' ' ' HIS . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.802 0.334 . . . . 0.0 111.159 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.401 ' CD1' ' O ' ' A' ' 89' ' ' PHE . 50.6 p90 -159.98 121.25 3.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -88.47 109.11 19.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.157 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 18.3 mtp -75.69 -174.3 2.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -110.92 162.99 18.39 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.57 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -85.01 36.65 0.57 Allowed 'Trans proline' 0 N--CA 1.462 -0.367 0 C-N-CA 122.748 2.299 . . . . 0.0 112.792 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.1 -19.32 11.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.357 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.406 ' O ' ' CE3' ' A' ' 95' ' ' TRP . 37.7 p-90 -50.55 133.4 25.21 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.85 0.357 . . . . 0.0 111.417 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -129.04 157.89 74.48 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.764 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.81 136.74 75.72 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.573 2.182 . . . . 0.0 112.159 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -160.18 -168.68 2.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.43 -35.13 73.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.2 -33.66 74.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.937 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -65.35 -48.57 72.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 32.9 mm -69.85 -37.41 73.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -44.71 93.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.415 ' HB3' ' CE2' ' A' ' 108' ' ' TRP . 17.2 mt -70.74 -42.96 69.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.08 -39.25 85.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.064 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.1 -37.36 85.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.061 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 20.1 tp -81.34 -32.14 33.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.682 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.419 ' CD2' ' HB2' ' A' ' 141' ' ' GLN . 51.5 m0 -73.54 -13.49 61.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.22 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 90.5 34.62 7.84 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.523 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.5 t -134.33 116.26 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.744 0.306 . . . . 0.0 111.194 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -114.34 131.13 56.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.116 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.5 mt -84.68 128.43 34.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.47 -36.66 13.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.948 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -119.43 165.81 16.33 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.834 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -63.76 146.13 91.65 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.523 2.148 . . . . 0.0 112.179 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 20.7 t -69.39 147.81 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.237 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 73.1 p -106.26 150.97 25.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 34.1 p -72.09 -35.42 69.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.823 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -59.55 -42.15 91.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -64.02 -45.45 88.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.94 -40.92 91.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.958 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.95 -38.97 83.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.094 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.7 m -68.41 -44.14 75.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -60.1 -48.8 80.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 49.1 mt -69.0 -32.09 53.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.062 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -66.07 -57.54 7.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.068 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -62.3 -35.3 78.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.773 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . 0.509 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 4.2 t-105 -63.99 -52.59 58.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.682 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -66.93 -37.24 83.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.29 -35.43 76.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.194 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.06 -41.53 98.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.933 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 61.94 31.52 78.77 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.378 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -110.02 -163.3 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.661 0.267 . . . . 0.0 110.818 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 11.4 t -141.79 142.11 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.114 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.509 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 3.7 m-85 -133.47 154.22 50.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.015 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . 0.438 ' CD2' ' HG3' ' A' ' 88' ' ' MET . 1.0 OUTLIER -78.84 -179.59 6.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.774 179.765 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . 0.418 ' CD2' HG23 ' A' ' 138' ' ' VAL . 56.3 p-80 -71.27 -44.48 65.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.639 179.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.418 HG23 ' CD2' ' A' ' 137' ' ' HIS . 21.6 t -66.16 -34.07 67.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.808 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -69.32 -40.66 77.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.703 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 20.8 t90 -62.71 -43.71 98.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.857 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.419 ' HB2' ' CD2' ' A' ' 108' ' ' TRP . 4.4 pt20 -70.43 -34.92 73.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.866 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -74.43 -34.2 63.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.97 -54.15 14.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.2 -43.43 95.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -60.1 -59.28 5.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -60.11 -29.87 68.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 7.1 m -64.29 -51.46 63.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.838 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 79.9 mt -65.07 -31.68 73.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -64.03 -47.4 80.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.819 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 21.2 mt -76.51 -19.96 14.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.323 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -73.94 -42.94 35.91 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.514 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -70.48 -35.58 73.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.817 0.341 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -59.7 -31.26 69.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.979 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 12.8 p -97.89 -10.04 25.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.291 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 1.9 m120 65.59 -77.51 0.04 OUTLIER 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.697 0.284 . . . . 0.0 110.912 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 149.56 72.0 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.539 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -139.3 -90.43 0.2 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.465 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 2.2 tt -162.28 73.52 2.24 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 120.759 0.314 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.51 135.52 31.26 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.597 2.198 . . . . 0.0 112.26 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.79 93.32 7.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.13 29.46 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -107.39 111.68 24.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.972 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 21.4 t -113.38 -66.49 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.082 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -163.76 56.03 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 59.11 103.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 21.5 t -139.3 -48.35 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.092 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 1.4 m -162.1 159.05 25.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.786 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 60.49 89.44 0.11 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -68.88 153.19 73.19 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.521 2.147 . . . . 0.0 112.299 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -173.78 109.22 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.32 -34.33 59.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 59.66 96.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . 0.413 ' CG2' ' HD2' ' A' ' 175' ' ' PRO . 0.2 OUTLIER -91.09 125.45 58.56 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.649 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' PRO . . . . . 0.458 ' N ' ' CD ' ' A' ' 175' ' ' PRO . 31.6 Cg_exo -57.86 -47.27 21.53 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.336 2.024 . . . . 0.0 112.611 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . 0.458 ' CD ' ' N ' ' A' ' 174' ' ' PRO . 50.2 Cg_exo -53.21 89.51 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.39 2.06 . . . . 0.0 112.306 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 156.23 132.12 1.48 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.554 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -176.99 37.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.859 0.361 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.39 131.68 36.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.835 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.367 -1.241 . . . . 0.0 112.524 179.944 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 22.8 ptm . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.812 0.339 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -153.58 104.39 2.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -75.46 124.85 27.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.079 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -120.64 -163.81 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.83 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 5.9 p90 -111.21 154.48 43.58 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.467 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -84.04 29.21 0.55 Allowed 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.746 2.297 . . . . 0.0 113.013 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -113.4 25.73 11.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.576 0.227 . . . . 0.0 111.423 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.418 ' CZ2' HG12 ' A' ' 125' ' ' ILE . 23.1 p-90 -82.3 137.63 34.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.929 0.395 . . . . 0.0 111.226 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.61 92.19 7.27 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.615 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.87 -171.86 1.26 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.602 2.201 . . . . 0.0 112.624 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -168.98 -70.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.624 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -88.14 -36.2 17.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.809 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.18 -25.99 67.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.027 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.411 ' CE1' HG21 ' A' ' 116' ' ' VAL . 9.6 t80 -64.68 -41.41 96.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.859 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 31.0 mt -76.65 -36.63 27.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.143 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.83 -40.36 69.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.807 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.42 HD21 ' CE2' ' A' ' 108' ' ' TRP . 23.2 mt -68.08 -45.04 74.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.768 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.16 -40.44 95.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.032 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.75 -34.25 69.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 19.5 tp -81.44 -30.68 33.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.794 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.423 ' CZ2' ' HG2' ' A' ' 141' ' ' GLN . 46.9 m0 -74.48 -13.29 60.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.302 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 102.03 35.62 3.91 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.519 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 28.7 t -128.79 126.04 64.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.835 0.35 . . . . 0.0 111.033 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -116.04 95.2 4.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.158 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.4 mt -91.05 134.61 34.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -39.4 77.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.923 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.35 164.13 45.07 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.21 160.73 3.07 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.552 2.168 . . . . 0.0 112.244 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.411 HG21 ' CE1' ' A' ' 101' ' ' PHE . 21.9 t -82.63 147.63 5.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 24.2 p -76.57 151.53 36.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.2 t -68.62 -27.91 66.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -57.17 -47.14 81.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.961 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -63.56 -37.82 88.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.819 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 2.7 mt -67.35 -50.3 60.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.1 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.88 -32.57 70.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.163 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.3 p -70.49 -41.3 72.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -63.54 -38.82 92.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.418 HG12 ' CZ2' ' A' ' 95' ' ' TRP . 23.5 mt -70.27 -38.43 74.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.051 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.91 -45.11 95.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.09 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -77.05 -35.0 57.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . 0.493 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 5.6 t-105 -61.29 -47.1 87.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.724 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -73.27 -38.11 66.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.02 -30.88 70.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.135 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -63.23 -49.71 73.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 68.4 43.51 78.06 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.528 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -133.92 -165.93 1.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.889 0.376 . . . . 0.0 110.766 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 20.5 t -127.44 150.41 33.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.177 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.493 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 20.8 m-85 -130.08 153.74 48.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.967 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -87.42 170.02 11.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -60.14 -64.11 1.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 26.7 t -54.53 -35.98 33.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.189 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -63.62 -35.57 80.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.72 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.426 ' CH2' HD11 ' A' ' 144' ' ' LEU . 1.3 t90 -70.16 -40.01 74.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.423 ' HG2' ' CZ2' ' A' ' 108' ' ' TRP . 31.0 mt-30 -69.36 -36.94 77.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.098 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -74.9 -50.19 17.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.404 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -54.37 47.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.317 -179.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.426 HD11 ' CH2' ' A' ' 140' ' ' TRP . 0.1 OUTLIER -62.52 -48.88 77.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.076 -179.716 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -57.41 -58.55 7.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.205 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 2.2 mmt85 -61.21 -29.51 69.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 31.4 t -66.56 -46.88 74.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 41.2 mt -68.78 -28.02 66.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -72.46 -57.69 3.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.951 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -61.79 -27.92 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.046 0.451 . . . . 0.0 111.199 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -74.91 -39.49 38.49 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.421 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.22 -42.53 72.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.786 0.326 . . . . 0.0 110.809 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -59.48 -38.61 81.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.053 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 43.0 p -78.95 -30.05 44.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.939 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 61.82 98.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 109.45 -102.82 1.67 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.565 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -124.82 -83.62 0.56 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 60.17 91.94 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 120.596 0.236 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -67.93 108.19 1.66 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.572 2.181 . . . . 0.0 112.359 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.93 -35.11 5.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -91.2 51.29 1.9 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -137.92 148.08 44.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.949 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 21.4 t -108.31 -42.86 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -137.94 154.95 49.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.938 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.49 79.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 21.5 t -82.55 -62.9 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 3.4 m 60.42 85.66 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -145.31 77.9 12.52 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.777 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.58 120.18 6.56 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.563 2.175 . . . . 0.0 112.389 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -78.05 90.46 4.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 6.5 p 63.3 135.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.041 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.14 36.2 1.76 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . 0.4 HG22 ' CA ' ' A' ' 176' ' ' GLY . 24.1 mt -138.48 79.94 28.44 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.033 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 174' ' ' PRO . . . . . 0.469 ' N ' ' HD2' ' A' ' 175' ' ' PRO . 36.7 Cg_exo -57.05 -47.2 24.04 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.775 2.317 . . . . 0.0 113.175 -179.62 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . 0.469 ' HD2' ' N ' ' A' ' 174' ' ' PRO . 58.6 Cg_endo -74.3 -50.85 0.15 Allowed 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.093 1.862 . . . . 0.0 112.686 -179.502 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . 0.4 ' CA ' HG22 ' A' ' 173' ' ' ILE . . . 141.89 -50.43 0.72 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.623 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 67.48 -72.2 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.811 0.339 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -75.83 75.19 2.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.854 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.426 -1.208 . . . . 0.0 112.508 -179.933 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.413 ' HA ' ' CE1' ' A' ' 136' ' ' HIS . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.798 0.332 . . . . 0.0 111.183 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -144.06 111.19 5.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.989 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -85.48 -179.88 7.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.028 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 1.7 tmm? -167.14 177.56 6.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -104.52 150.67 38.77 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.624 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -84.2 35.24 0.54 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.691 2.261 . . . . 0.0 112.912 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.38 13.29 18.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.425 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.427 ' CZ2' HG12 ' A' ' 125' ' ' ILE . 26.5 p-90 -78.54 155.98 29.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.895 0.378 . . . . 0.0 111.239 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -131.82 162.19 57.92 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.61 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.39 136.9 70.94 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.421 2.081 . . . . 0.0 112.213 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -136.29 -175.77 4.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.907 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -75.11 -36.68 61.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.055 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.03 -29.25 67.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -64.53 -57.48 9.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.848 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.0 mt -61.8 -37.62 78.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.984 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -47.11 85.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.449 ' CD2' ' CZ2' ' A' ' 108' ' ' TRP . 7.3 mp -67.54 -42.32 82.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.05 -33.92 74.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -73.19 -39.06 65.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.132 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 17.2 tp -81.39 -29.96 33.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.805 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.449 ' CZ2' ' CD2' ' A' ' 104' ' ' LEU . 43.8 m0 -68.16 -13.33 62.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.314 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 97.16 42.9 3.14 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.59 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 17.2 t -116.3 110.71 32.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 0.0 111.084 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -111.03 124.38 52.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.1 mp -121.89 142.43 50.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.71 -31.26 36.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.862 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.32 157.87 75.75 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.23 -179.2 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.544 2.163 . . . . 0.0 112.299 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 9.6 p -94.82 145.99 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.043 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.63 165.94 11.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 15.2 p -60.28 -35.97 76.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -61.67 -31.48 71.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -69.77 -48.98 57.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.811 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.5 mp -68.99 -41.73 77.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.786 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.0 -39.51 92.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.049 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.3 m -65.31 -49.91 67.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.81 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -60.23 -46.08 91.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.427 HG12 ' CZ2' ' A' ' 95' ' ' TRP . 10.4 mt -69.51 -32.77 54.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.016 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.53 -54.12 50.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.03 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -67.77 -33.8 75.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . 0.506 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 10.6 t-105 -67.67 -39.9 84.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.777 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -75.95 -35.33 59.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.954 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -76.11 -31.43 58.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -66.19 -45.48 80.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 59.51 34.44 81.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.424 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -111.06 -163.85 0.88 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.669 0.271 . . . . 0.0 110.824 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 3.9 t -133.82 141.94 42.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.047 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.506 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 9.8 m-85 -129.68 162.58 28.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.966 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . 0.413 ' CE1' ' HA ' ' A' ' 88' ' ' MET . 8.9 m-70 -97.84 179.04 4.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.681 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . 0.476 ' CE1' ' CG2' ' A' ' 138' ' ' VAL . 6.9 p80 -68.34 -47.46 67.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.743 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.476 ' CG2' ' CE1' ' A' ' 137' ' ' HIS . 39.6 t -69.28 -36.97 74.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.946 0.403 . . . . 0.0 110.771 179.505 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -69.12 -36.89 77.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.961 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 15.8 t90 -66.68 -45.02 80.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.436 ' HB3' ' CZ2' ' A' ' 108' ' ' TRP . 3.8 pt20 -70.52 -30.04 66.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.043 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -78.41 -48.19 15.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.229 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -41.03 96.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.118 -179.71 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.9 tt -69.83 -48.12 60.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -60.74 -56.89 15.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.196 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -60.74 -30.0 69.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.05 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.3 m -66.77 -52.71 41.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.061 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 29.8 mt -64.76 -29.1 70.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.996 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -67.93 -50.59 55.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.03 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 27.0 pt -69.95 -32.37 51.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.095 0.474 . . . . 0.0 111.236 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -64.39 -53.79 33.67 Favored Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.451 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.7 -35.25 78.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.803 0.335 . . . . 0.0 110.836 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -71.3 -35.34 71.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 53.8 p -78.37 -31.27 48.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 1.7 t30 60.81 97.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -113.03 -27.33 3.75 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.528 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -74.95 -85.05 0.31 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.521 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 8.7 mp -61.39 137.2 94.53 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 120.595 0.236 . . . . 0.0 110.86 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.13 -172.24 1.3 Allowed 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.487 2.125 . . . . 0.0 112.365 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.66 -32.69 6.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.71 179.61 7.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.68 138.88 46.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 5.8 m -133.62 -46.47 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.096 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -110.3 163.42 13.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 1.1 m -76.18 105.13 7.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 21.4 t -69.56 -59.0 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.168 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 3.1 m 60.65 98.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.994 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 59.88 161.68 0.1 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.1 -172.08 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.661 2.241 . . . . 0.0 112.243 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -144.83 114.12 7.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 14.0 t -139.04 -46.2 0.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -72.83 119.21 16.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 28.8 mm -124.27 95.92 42.69 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.079 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -45.62 101.11 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.742 2.295 . . . . 0.0 112.532 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -64.65 115.86 3.46 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.659 2.239 . . . . 0.0 112.159 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 128.03 -162.68 21.8 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.465 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.99 168.65 7.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.844 0.354 . . . . 0.0 110.864 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 14.6 mtp180 -119.36 107.97 14.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.518 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 2.5 mmt . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.787 0.327 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -150.92 106.31 3.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.99 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -83.67 110.48 18.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.042 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.44 -165.04 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -123.11 158.52 57.59 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.269 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -84.68 23.27 0.85 Allowed 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.641 2.227 . . . . 0.0 113.113 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.21 11.86 18.85 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.62 0.23 . . . . 0.0 111.62 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 67.7 p-90 -71.42 131.46 43.39 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 120.896 0.379 . . . . 0.0 111.064 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -110.41 151.02 42.42 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.97 160.74 48.42 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.542 2.161 . . . . 0.0 112.299 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -176.51 -169.81 0.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.913 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.1 -31.89 70.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -59.67 -31.11 69.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.94 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -64.06 -41.2 97.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 17.1 mt -73.68 -34.67 41.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.014 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.77 -41.85 82.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 16.2 mt -72.3 -43.8 63.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.93 90.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -73.73 -31.25 63.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.148 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 20.2 tp -81.51 -30.64 33.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.793 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.421 ' CG ' ' HB2' ' A' ' 141' ' ' GLN . 46.2 m0 -74.22 -13.29 60.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.336 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 108.61 37.53 2.05 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.416 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.3 t -139.98 111.08 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.785 0.326 . . . . 0.0 111.106 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -112.59 110.2 20.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.7 mp -113.59 159.94 19.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.823 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.45 -45.22 9.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -108.02 155.32 40.25 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.69 179.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.565 2.177 . . . . 0.0 112.377 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 12.5 p -77.83 152.17 5.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.176 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 59.3 p -83.82 149.43 26.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.857 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.2 t -68.86 -30.81 69.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -59.19 -48.16 82.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.78 -30.59 69.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -62.4 -57.93 9.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.799 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.83 -39.91 95.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.4 t -59.74 -44.6 93.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.422 ' CZ ' HD13 ' A' ' 144' ' ' LEU . 0.9 OUTLIER -61.45 -48.41 81.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.999 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 53.9 mt -65.75 -32.26 57.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.0 -44.38 96.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.125 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -75.46 -32.15 60.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . 0.487 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 12.8 t-105 -69.44 -40.57 77.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -75.0 -36.64 61.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -76.84 -31.51 56.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.012 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -63.73 -45.46 89.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 59.45 35.32 84.81 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.516 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.46 -164.57 1.04 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.81 0.338 . . . . 0.0 110.785 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 4.1 t -132.81 141.96 43.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.974 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.487 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 8.0 m-85 -130.27 149.84 51.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -82.99 -179.13 7.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.723 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . 0.412 ' CD2' HG22 ' A' ' 138' ' ' VAL . 57.3 p-80 -70.52 -40.94 73.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.728 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.412 HG22 ' CD2' ' A' ' 137' ' ' HIS . 21.4 t -70.3 -35.04 60.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.041 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -70.56 -36.43 73.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -67.8 -46.4 72.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.78 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.421 ' HB2' ' CG ' ' A' ' 108' ' ' TRP . 3.9 pt20 -65.51 -41.59 93.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -66.7 -42.22 86.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.53 -49.99 73.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.422 HD13 ' CZ ' ' A' ' 124' ' ' PHE . 0.1 OUTLIER -66.18 -35.93 81.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -69.12 -48.73 61.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.189 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.1 -30.38 71.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.001 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 20.5 m -72.58 -44.43 62.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.046 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 5.4 mt -74.76 -38.06 62.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.96 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.83 -54.83 7.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.961 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 26.7 mt -73.11 -19.58 18.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.346 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -77.86 -46.08 9.91 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.486 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.3 -30.08 34.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.795 0.331 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.41 -42.59 87.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.223 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.3 p -104.4 -31.34 9.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 61.22 156.65 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -148.19 -67.99 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.504 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 104.48 117.63 4.37 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.475 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.423 ' N ' ' CD ' ' A' ' 159' ' ' PRO . 0.2 OUTLIER -84.57 -51.68 0.55 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.661 0.267 . . . . 0.0 111.013 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . 0.423 ' CD ' ' N ' ' A' ' 158' ' ' LEU . 31.3 Cg_exo -59.15 88.6 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.507 2.138 . . . . 0.0 112.228 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -119.39 123.42 44.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -122.37 114.22 20.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -110.94 136.16 50.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 6.1 m -144.6 110.53 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -176.76 61.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 59.47 38.56 22.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 21.4 t -97.63 -30.22 3.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.247 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 23.0 t -169.08 -163.8 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.801 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' GLU . . . . . 0.462 ' CB ' ' CD ' ' A' ' 169' ' ' PRO . 0.3 OUTLIER -162.36 -65.11 0.02 OUTLIER Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.907 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' PRO . . . . . 0.462 ' CD ' ' CB ' ' A' ' 168' ' ' GLU . 46.6 Cg_endo -68.27 153.64 73.96 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.458 2.105 . . . . 0.0 112.205 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -102.7 130.6 49.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.37 -179.83 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.929 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.29 66.33 0.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 3.5 pt -65.8 141.44 97.7 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.199 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -73.65 111.69 3.35 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.512 2.142 . . . . 0.0 112.392 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -57.85 -161.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.357 2.038 . . . . 0.0 112.223 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . -132.32 -70.69 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.51 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 59.95 160.48 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.79 0.328 . . . . 0.0 110.931 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 2.2 mmt-85 -127.89 -45.51 1.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.815 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.393 -1.226 . . . . 0.0 112.46 179.984 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.419 ' HA ' ' CD2' ' A' ' 136' ' ' HIS . 2.2 mtt . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.763 0.316 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -132.89 107.0 8.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.007 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.41 110.56 20.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.193 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 22.7 ptp -101.65 -168.12 1.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.769 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.408 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 10.4 p90 -116.53 150.59 45.81 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.664 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 92' ' ' TYR . 3.5 Cg_endo -85.36 35.93 0.53 Allowed 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 122.877 2.384 . . . . 0.0 112.646 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -113.17 20.32 16.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.194 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.43 ' CZ2' HG12 ' A' ' 125' ' ' ILE . 26.0 p-90 -84.72 148.75 26.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.815 0.341 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -116.39 142.4 29.4 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.55 152.89 15.2 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.464 2.11 . . . . 0.0 112.246 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -164.6 -174.45 3.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.77 -37.24 81.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.166 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.57 -32.89 70.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.957 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -60.22 -53.62 55.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 10.8 mt -70.93 -34.83 57.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.054 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.39 -48.84 73.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.8 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.4 mt -66.45 -43.01 86.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.34 -44.6 95.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.04 -36.52 83.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.039 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 20.1 tp -81.46 -31.64 32.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.733 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.425 ' CD2' ' HB2' ' A' ' 141' ' ' GLN . 47.2 m0 -69.67 -13.5 62.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.278 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 109.25 28.55 4.33 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.433 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.4 t -129.3 110.69 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.731 0.3 . . . . 0.0 111.114 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -114.57 106.71 14.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.3 mt -115.18 114.76 25.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.944 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.23 -44.17 89.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.84 144.94 56.53 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.6 -177.68 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.516 2.144 . . . . 0.0 112.258 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 12.6 p -90.76 134.33 29.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 7.3 p -78.39 148.35 33.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.3 t -72.21 -34.14 68.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -66.42 -36.97 84.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -69.13 -44.21 72.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 6.4 mt -64.44 -51.04 65.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.947 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.52 -35.85 76.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 23.3 t -65.9 -41.14 91.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.42 ' CZ ' ' HG ' ' A' ' 144' ' ' LEU . 6.7 t80 -65.13 -53.29 47.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.43 HG12 ' CZ2' ' A' ' 95' ' ' TRP . 6.1 mt -60.39 -37.37 74.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.055 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.29 -55.73 31.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.086 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -65.23 -29.78 70.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . 0.501 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 8.4 t-105 -72.53 -41.18 66.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -74.81 -34.91 62.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.924 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -78.35 -30.92 48.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -67.7 -45.95 73.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.977 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 61.86 33.45 85.44 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.37 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.68 -161.9 0.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.763 0.316 . . . . 0.0 110.757 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 3.7 t -142.09 141.96 28.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.945 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.501 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 5.2 m-85 -135.03 159.3 41.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.92 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . 0.419 ' CD2' ' HA ' ' A' ' 88' ' ' MET . 3.9 m-70 -95.44 174.83 6.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.739 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . 0.481 ' CE1' ' CG2' ' A' ' 138' ' ' VAL . 7.8 p80 -61.17 -47.7 84.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.628 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.481 ' CG2' ' CE1' ' A' ' 137' ' ' HIS . 31.7 t -71.83 -33.82 49.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.617 179.387 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.74 -33.58 72.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.65 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -71.13 -49.66 41.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.425 ' HB2' ' CD2' ' A' ' 108' ' ' TRP . 6.5 pt20 -66.67 -36.13 81.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.915 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -75.77 -47.56 25.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.027 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 23.0 tttt -60.85 -49.79 76.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.961 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.42 ' HG ' ' CZ ' ' A' ' 124' ' ' PHE . 1.7 tt -61.53 -52.43 64.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -59.11 -49.61 77.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.107 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -65.9 -29.31 69.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.015 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 11.4 m -72.19 -41.92 66.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 79.0 mt -72.55 -34.54 67.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -74.27 -53.48 9.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 38.0 mt -73.98 -18.81 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.388 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -80.55 -44.68 8.4 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.506 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.94 -40.87 75.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.778 0.323 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -65.92 -31.03 71.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.8 m -91.45 -31.28 16.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.967 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -92.02 137.26 32.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -153.97 43.03 0.61 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.489 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 119.13 -84.78 0.38 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.474 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -132.26 66.08 76.43 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.311 . . . . 0.0 110.861 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.5 154.32 55.31 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.61 2.207 . . . . 0.0 112.331 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -143.91 76.0 1.49 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.826 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 2.9 ptp180 -78.25 166.82 22.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -118.86 102.12 8.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 16.6 m -147.69 31.03 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -146.47 120.91 9.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 24.1 m 60.5 30.52 19.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 3.1 m -101.23 84.36 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.104 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 2.0 m -149.85 62.43 0.99 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -136.33 87.13 22.95 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.78 123.52 9.84 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.568 2.179 . . . . 0.0 112.365 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 59.66 164.15 0.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.974 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 22.8 t -101.35 124.39 46.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -74.0 65.61 1.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 5.4 pt -66.77 120.24 69.77 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.162 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.63 153.92 22.15 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.4 2.067 . . . . 0.0 112.27 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -52.78 168.57 0.46 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.511 2.14 . . . . 0.0 112.262 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . -153.23 65.21 0.34 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.476 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -145.41 30.93 1.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.876 0.369 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.12 144.1 12.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.547 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.781 0.324 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -147.13 114.05 6.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.939 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.58 -179.93 1.89 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.019 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 11.3 mtm -151.17 -174.52 4.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.788 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 14.2 p90 -109.18 146.31 33.62 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.551 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -83.3 33.01 0.51 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.674 2.249 . . . . 0.0 112.934 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.4 -16.9 12.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.274 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 42.1 p-90 -49.24 146.64 3.57 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.868 0.365 . . . . 0.0 111.458 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.79 165.33 37.37 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.766 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.05 148.64 85.76 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.485 2.123 . . . . 0.0 112.258 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.38 -168.88 2.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.92 -46.69 80.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.056 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -59.3 -31.26 68.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -61.27 -48.93 79.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 29.8 mm -72.53 -31.21 36.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.51 -52.35 40.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 21.1 mt -61.76 -45.04 95.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.53 -46.81 87.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.163 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.27 -34.52 77.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 17.5 tp -81.42 -31.89 32.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.723 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.415 ' CZ2' ' HG2' ' A' ' 141' ' ' GLN . 45.5 m0 -70.53 -13.34 62.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.322 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 107.98 32.17 3.38 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.516 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.5 t -119.83 110.74 30.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 111.122 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -101.76 107.65 18.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.059 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -117.5 121.61 41.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 11.1 mtt85 -85.75 -58.72 2.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -74.78 150.74 86.48 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.04 179.24 0.04 OUTLIER 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.605 2.204 . . . . 0.0 112.306 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 10.8 p -89.95 153.05 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.084 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 18.3 p -106.7 149.75 26.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.9 t -71.47 -32.01 67.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.94 -38.94 93.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -63.91 -46.69 83.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.7 mp -63.79 -49.4 73.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -58.75 -30.04 67.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.16 -45.32 60.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.962 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.423 ' CZ ' HD13 ' A' ' 144' ' ' LEU . 7.9 t80 -66.95 -47.34 71.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.983 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 54.6 mt -65.53 -32.62 59.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.975 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.09 -50.05 67.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.018 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.42 ' CD2' ' HG3' ' A' ' 131' ' ' GLU . 34.9 t80 -72.83 -31.23 64.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.828 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . 0.501 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 4.6 t-105 -62.47 -47.73 82.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.714 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -73.97 -43.18 59.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.53 -30.66 71.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.42 ' HG3' ' CD2' ' A' ' 127' ' ' TYR . 0.2 OUTLIER -63.18 -44.27 95.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 65.25 32.61 84.34 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.462 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -120.68 -166.02 1.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.84 0.352 . . . . 0.0 110.776 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 12.6 t -139.04 145.36 27.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.106 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.501 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 4.5 m-85 -130.55 149.39 52.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -77.43 177.94 7.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.813 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -61.77 -60.43 3.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.973 0.416 . . . . 0.0 110.823 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 31.9 t -57.39 -34.47 46.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.931 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -64.56 -32.16 73.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.73 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.407 ' CZ2' HD12 ' A' ' 144' ' ' LEU . 2.2 t90 -74.08 -40.81 62.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.79 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.415 ' HG2' ' CZ2' ' A' ' 108' ' ' TRP . 28.1 mt-30 -62.1 -46.41 89.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.95 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.81 -36.09 64.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.02 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -62.72 -53.88 47.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.98 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.423 HD13 ' CZ ' ' A' ' 124' ' ' PHE . 0.1 OUTLIER -67.04 -46.52 74.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.997 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -59.45 -57.97 10.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.193 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 16.5 ttt180 -58.46 -31.5 67.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -64.87 -52.66 55.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.92 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 15.6 mt -69.1 -28.07 66.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.95 -57.82 11.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 31.9 pt -72.58 -32.82 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.068 0.461 . . . . 0.0 111.255 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -64.74 -46.16 90.58 Favored Glycine 0 N--CA 1.451 -0.34 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.549 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 11.3 ttp-105 -67.72 -28.16 67.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.791 0.329 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -79.97 -53.25 6.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.197 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.14 -41.79 99.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.949 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -135.85 127.56 29.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -162.16 40.0 0.38 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.559 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -139.87 -77.47 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.612 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.46 ' N ' ' HD2' ' A' ' 159' ' ' PRO . 0.2 OUTLIER 179.68 -60.43 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 120.579 0.228 . . . . 0.0 111.122 -179.91 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . 0.46 ' HD2' ' N ' ' A' ' 158' ' ' LEU . 18.3 Cg_endo -59.91 177.23 0.53 Allowed 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.419 2.079 . . . . 0.0 112.215 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.58 124.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 25.2 ttt-85 62.82 41.86 8.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.813 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -126.65 119.51 27.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 13.1 p -78.8 152.67 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.02 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -77.75 67.11 3.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.787 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 63.81 129.72 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 10.1 p -177.58 -38.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.237 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 2.6 m -98.79 40.43 1.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.026 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' GLU . . . . . 0.409 ' N ' ' CD ' ' A' ' 169' ' ' PRO . 1.1 tt0 -87.81 -52.54 0.39 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' PRO . . . . . 0.409 ' CD ' ' N ' ' A' ' 168' ' ' GLU . 46.8 Cg_exo -55.97 112.58 1.11 Allowed 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.486 2.124 . . . . 0.0 112.262 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -108.73 131.81 54.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.67 177.24 5.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.972 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -144.49 100.72 3.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 1.3 pt -66.64 160.7 66.04 Favored Pre-proline 0 N--CA 1.452 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.241 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_exo -56.28 170.39 1.2 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.607 2.205 . . . . 0.0 112.103 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -62.94 178.56 1.0 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.501 2.134 . . . . 0.0 112.247 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . -57.86 136.16 51.08 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.646 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -161.23 142.1 11.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.885 0.374 . . . . 0.0 110.813 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 61.31 -174.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.801 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.388 -1.229 . . . . 0.0 112.511 -179.992 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.426 ' HA ' ' CG ' ' A' ' 136' ' ' HIS . 3.5 mpp? . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.823 0.344 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -137.04 108.61 6.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -75.06 109.17 8.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.211 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 24.7 ptm -99.44 -168.63 1.64 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.808 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.408 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 14.0 p90 -118.16 144.16 34.35 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.617 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 92' ' ' TYR . 1.7 Cg_endo -82.51 35.03 0.56 Allowed 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.886 2.391 . . . . 0.0 112.752 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.11 19.74 16.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.644 0.259 . . . . 0.0 111.14 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.412 ' CZ2' HG12 ' A' ' 125' ' ' ILE . 17.1 p-90 -78.89 146.97 33.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.038 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -107.65 148.53 37.47 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.05 148.64 57.16 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.562 2.174 . . . . 0.0 112.274 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -159.16 -175.93 5.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.82 -30.4 68.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.099 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -59.63 -30.82 68.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.63 -58.73 7.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 6.8 mt -66.41 -33.31 62.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.036 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -54.4 42.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.757 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.421 ' HB3' ' CE2' ' A' ' 108' ' ' TRP . 14.6 mt -64.39 -43.09 95.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.843 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.36 -35.69 74.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.011 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.69 93.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 18.6 tp -81.45 -29.25 33.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.721 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.438 ' CE2' ' HG2' ' A' ' 141' ' ' GLN . 40.7 m0 -68.22 -13.52 62.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.259 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 108.91 40.87 1.5 Allowed Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.508 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.4 t -150.71 110.66 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.857 0.36 . . . . 0.0 111.08 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -97.25 111.13 23.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.3 mt -112.06 108.57 17.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -87.69 -38.5 15.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -97.2 158.45 33.25 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.979 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.68 151.54 19.03 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.515 2.143 . . . . 0.0 112.289 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 10.9 p -79.83 140.89 16.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.31 147.63 53.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 60.8 m -72.41 -39.96 67.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.043 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -57.12 -34.98 68.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -51.98 49.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 6.7 mp -60.52 -50.19 74.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.39 -38.38 80.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.08 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.1 m -69.66 -31.42 69.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.426 ' CZ ' HD11 ' A' ' 144' ' ' LEU . 0.3 OUTLIER -66.26 -58.29 5.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.412 HG12 ' CZ2' ' A' ' 95' ' ' TRP . 10.5 mt -64.35 -29.9 48.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.056 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.28 -48.71 72.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -72.6 -31.46 65.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 6.4 t-105 -67.83 -48.81 65.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.769 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.95 -31.5 64.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -78.15 -30.64 49.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -72.17 -44.91 62.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 60.82 36.57 92.16 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.45 -163.69 0.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.75 0.31 . . . . 0.0 110.726 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 3.4 t -133.72 142.04 42.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -135.02 151.0 50.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.035 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . 0.426 ' CG ' ' HA ' ' A' ' 88' ' ' MET . 0.3 OUTLIER -87.29 -171.75 3.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.74 179.759 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -71.3 -51.06 26.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.781 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 27.7 t -62.76 -38.13 80.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.132 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -65.77 -31.96 73.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -72.63 -39.55 67.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.997 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.438 ' HG2' ' CE2' ' A' ' 108' ' ' TRP . 34.2 mt-30 -63.14 -49.68 73.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.07 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -66.97 -34.44 77.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.25 -54.22 40.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.982 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.426 HD11 ' CZ ' ' A' ' 124' ' ' PHE . 0.1 OUTLIER -62.37 -34.72 77.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.1 -179.906 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -71.67 -59.96 2.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.245 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -58.97 -29.89 67.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.036 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 32.7 t -69.97 -48.46 58.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.008 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -67.02 -29.61 69.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.985 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -71.84 -57.85 3.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.958 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 1.7 pp -60.8 -28.36 43.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.355 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -72.07 -51.75 13.33 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.532 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -59.87 -31.14 69.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.899 0.38 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -77.3 -47.35 20.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.69 -37.86 87.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.82 129.69 43.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.919 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 90.36 44.21 4.72 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.484 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 136.06 99.21 0.56 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.566 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.414 ' CB ' ' CD ' ' A' ' 159' ' ' PRO . 0.8 OUTLIER -69.49 -61.21 3.34 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.607 0.242 . . . . 0.0 110.973 -179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . 0.414 ' CD ' ' CB ' ' A' ' 158' ' ' LEU . 49.8 Cg_endo -68.86 155.04 69.9 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.484 2.123 . . . . 0.0 112.29 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 18.5 mtmm 60.55 158.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -112.21 129.87 56.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -107.77 113.64 27.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.823 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 15.5 m -114.27 -43.63 4.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.131 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 53.04 73.7 0.34 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 8.6 p 55.64 102.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.992 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 21.8 t -141.65 -61.12 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.219 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.82 -179.32 3.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -100.0 107.48 47.08 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -68.67 82.61 0.54 Allowed 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.338 2.025 . . . . 0.0 112.29 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -142.79 104.23 4.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.05 -176.8 5.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -96.81 174.46 6.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 3.8 mp -96.56 101.51 9.2 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -68.4 127.65 16.04 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.395 2.063 . . . . 0.0 112.2 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -73.24 61.55 4.12 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.474 2.116 . . . . 0.0 112.272 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 111.28 -132.23 10.78 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.537 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -139.59 171.16 14.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.819 0.342 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -172.26 157.1 4.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.843 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.356 -1.246 . . . . 0.0 112.526 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.424 ' HG3' ' CD2' ' A' ' 136' ' ' HIS . 1.9 mtp . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.835 0.35 . . . . 0.0 111.133 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -157.46 112.84 2.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.027 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -94.55 -179.91 5.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.946 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -167.84 -161.94 0.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -132.58 163.02 53.67 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.23 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -81.65 21.95 0.88 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.559 2.173 . . . . 0.0 113.118 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -113.21 19.49 17.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.562 0.22 . . . . 0.0 111.326 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 68.9 p-90 -74.53 143.07 44.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.842 0.353 . . . . 0.0 110.999 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -104.96 142.19 24.12 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.67 158.87 52.46 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.588 2.192 . . . . 0.0 112.256 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -162.73 -178.79 6.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.36 -27.68 62.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.247 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.14 -30.18 61.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.983 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -61.97 -58.49 7.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.5 mt -67.33 -36.76 77.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.199 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.73 -45.98 92.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.832 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.463 ' CD2' ' CZ2' ' A' ' 108' ' ' TRP . 6.2 mp -73.45 -42.84 61.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.4 -38.95 91.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.17 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -67.41 -36.26 80.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 16.1 tp -81.53 -31.28 32.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.838 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.463 ' CZ2' ' CD2' ' A' ' 104' ' ' LEU . 54.1 m0 -73.06 -13.51 61.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.33 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 106.71 41.15 1.76 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.537 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 18.3 t -142.07 110.67 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.356 . . . . 0.0 111.072 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -91.16 108.33 19.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.9 mt -102.32 121.34 42.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.832 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -108.81 -38.94 5.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -106.06 140.53 21.34 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.86 153.64 19.34 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.389 2.059 . . . . 0.0 112.206 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 12.4 p -80.32 139.07 18.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.024 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 43.8 p -65.4 154.78 37.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.5 -39.1 81.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.949 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -60.07 -35.25 74.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.82 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -72.73 -46.12 55.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 3.8 tp -66.36 -43.53 85.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.48 -39.78 95.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.9 t -67.3 -34.97 78.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.421 ' CE1' HD12 ' A' ' 144' ' ' LEU . 1.8 t80 -69.54 -45.1 69.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.978 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 17.3 mt -67.03 -44.06 88.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.02 -48.21 80.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.21 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -66.81 -30.8 71.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . 0.466 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 1.6 t-105 -67.94 -50.98 52.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.768 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -73.85 -31.49 63.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.22 -31.06 67.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.101 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.72 -38.68 77.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 59.02 40.86 96.04 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.453 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -118.37 -167.72 1.41 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.879 0.371 . . . . 0.0 110.711 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 3.5 t -144.28 142.09 24.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.466 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 0.2 OUTLIER -139.89 161.33 37.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.808 -179.907 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . 0.424 ' CD2' ' HG3' ' A' ' 88' ' ' MET . 28.3 m-70 -79.7 -178.02 6.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.767 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 56.6 p-80 -70.98 -39.24 72.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.73 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 28.3 t -66.82 -35.79 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.929 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.51 -38.75 77.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.799 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.421 ' CH2' HD11 ' A' ' 144' ' ' LEU . 22.2 t90 -63.61 -44.55 93.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.689 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.448 ' HB3' ' CZ2' ' A' ' 108' ' ' TRP . 3.9 pt20 -68.22 -42.7 79.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.996 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -66.38 -51.75 53.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.028 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.84 -54.14 49.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.267 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.421 HD11 ' CH2' ' A' ' 140' ' ' TRP . 0.2 OUTLIER -59.61 -49.65 76.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.137 -179.834 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -58.59 -60.05 4.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.286 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . 0.4 ' O ' HG12 ' A' ' 150' ' ' ILE . 5.6 mtm-85 -57.71 -31.75 66.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.719 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.3 m -59.36 -51.05 71.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.751 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 12.1 mt -63.27 -35.14 79.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.481 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.85 -57.85 6.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.835 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.4 HG12 ' O ' ' A' ' 146' ' ' ARG . 17.9 mm -69.39 -20.7 24.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.329 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -69.4 -52.33 22.32 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.547 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -31.32 72.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.799 0.333 . . . . 0.0 110.887 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -65.84 -45.85 80.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.17 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 45.4 p -63.04 -36.84 84.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -146.45 130.86 17.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -172.68 56.12 0.16 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.548 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -125.44 -121.11 2.5 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.425 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 178.82 -52.4 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 120.525 0.202 . . . . 0.0 111.089 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.26 86.67 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.43 2.086 . . . . 0.0 112.252 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.85 95.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -128.48 100.35 5.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -137.87 118.45 13.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 11.4 m -135.56 -47.29 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.141 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 15.1 m-20 -98.27 166.16 11.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.71 32.97 18.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 21.4 t -112.75 -36.5 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.206 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 25.7 p -171.76 169.84 5.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.58 72.78 20.38 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.0 127.78 26.36 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.549 2.166 . . . . 0.0 112.302 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -143.85 96.69 2.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 19.9 m -124.76 127.42 47.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 60.39 170.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 32.4 mt -131.64 84.88 53.76 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.71 122.58 8.99 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.584 2.189 . . . . 0.0 112.228 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -68.43 -176.94 1.26 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.407 2.071 . . . . 0.0 112.28 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . -59.67 177.83 2.64 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.466 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -82.65 143.23 31.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.869 0.366 . . . . 0.0 110.905 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -87.6 100.59 12.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.364 -1.242 . . . . 0.0 112.534 179.94 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.402 ' HA ' ' CG ' ' A' ' 136' ' ' HIS . 36.3 mtm . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 120.784 0.326 . . . . 0.0 111.261 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -159.39 102.14 1.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -81.07 -179.93 7.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.075 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 4.2 ptp -163.68 -157.27 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.705 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.449 ' O ' ' HD1' ' A' ' 95' ' ' TRP . 4.1 p90 -118.01 156.76 49.91 Favored Pre-proline 0 C--N 1.331 -0.237 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 179.599 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -79.75 18.18 1.17 Allowed 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.545 2.163 . . . . 0.0 113.361 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -113.18 22.77 13.98 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.551 0.204 . . . . 0.0 111.551 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.449 ' HD1' ' O ' ' A' ' 92' ' ' TYR . 66.7 p-90 -74.65 116.74 15.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.853 0.358 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -136.62 92.16 15.22 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -82.91 173.39 10.25 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.792 2.328 . . . . 0.0 112.501 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -131.29 -79.8 0.52 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.712 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -88.21 -34.06 17.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.095 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -59.18 -35.43 73.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.981 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -59.94 -57.13 14.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 33.8 mm -65.23 -30.42 50.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.021 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -49.38 62.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 14.0 mt -67.65 -43.15 80.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.57 87.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.042 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.13 -42.23 99.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 20.7 tp -81.45 -28.82 34.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.725 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.421 ' CD2' ' HB2' ' A' ' 141' ' ' GLN . 28.3 m0 -68.1 -13.36 62.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.373 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 108.97 38.16 1.9 Allowed Glycine 0 C--N 1.332 0.326 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.559 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.9 t -140.89 110.68 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.817 0.341 . . . . 0.0 111.079 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -91.5 99.63 12.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.088 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 66.5 mt -120.68 148.02 44.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -118.89 -45.44 2.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -84.7 148.92 52.84 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.58 172.65 0.16 Allowed 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.609 2.206 . . . . 0.0 112.306 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 11.6 p -91.52 131.99 37.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 37.1 p -65.31 154.48 38.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.6 t -67.01 -30.51 70.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.949 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -58.23 -35.02 71.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.928 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -74.14 -48.29 30.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.42 HD11 ' CH2' ' A' ' 95' ' ' TRP . 3.7 mm? -64.36 -40.18 95.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -69.71 -38.56 76.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.8 m -68.89 -47.2 66.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.425 ' CE2' HD11 ' A' ' 144' ' ' LEU . 2.7 t80 -61.24 -53.76 52.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 39.7 mt -64.3 -30.7 50.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.987 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.8 -56.13 20.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.034 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -67.88 -31.44 71.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.779 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . 0.461 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 8.7 t-105 -63.66 -47.59 80.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.718 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -30.92 61.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.83 -33.11 62.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -67.44 -47.44 70.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 66.77 39.47 93.59 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.498 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.54 -164.91 1.31 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.761 0.315 . . . . 0.0 110.755 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 12.2 t -131.71 142.08 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.142 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.461 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 8.0 m-85 -129.38 150.56 50.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . 0.402 ' CG ' ' HA ' ' A' ' 88' ' ' MET . 0.3 OUTLIER -79.1 164.91 23.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.896 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -65.12 -39.9 93.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 21.8 t -67.82 -43.25 86.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.079 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -62.19 -37.4 85.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.415 ' CZ3' HD13 ' A' ' 144' ' ' LEU . 5.3 t90 -64.96 -50.6 65.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.943 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.421 ' HB2' ' CD2' ' A' ' 108' ' ' TRP . 4.0 pt20 -66.67 -34.73 78.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.005 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -73.23 -36.58 66.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -75.41 -50.18 16.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.07 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.425 HD11 ' CE2' ' A' ' 124' ' ' PHE . 0.2 OUTLIER -59.02 -54.24 49.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.04 -179.892 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -60.43 -54.32 47.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.213 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -58.96 -31.92 69.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.033 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 45.5 t -67.03 -51.74 51.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.93 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 6.9 mt -60.73 -30.72 70.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.926 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -67.43 -54.21 22.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 30.2 mm -69.24 -19.9 23.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.361 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -78.47 -44.36 11.11 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.56 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 5.6 tpt85 -70.06 -35.46 74.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.778 0.323 . . . . 0.0 110.964 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -65.02 -31.44 72.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.075 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 54.4 m -82.67 -31.96 28.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 61.21 113.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -79.0 -128.94 0.58 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.508 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -179.45 96.1 0.1 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.529 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -117.02 100.64 53.43 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 120.644 0.259 . . . . 0.0 110.808 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -49.81 108.84 0.23 Allowed 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.556 2.171 . . . . 0.0 112.406 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 4.3 mtpt -133.38 -45.7 0.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 4.2 mtt-85 -159.9 107.56 1.68 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -111.74 116.58 30.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 15.3 m -139.97 31.31 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.17 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 32.2 m120 63.31 141.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.17 61.34 1.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 21.5 t -145.68 -49.77 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.062 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 1.6 m -107.45 33.11 4.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -134.79 80.43 49.55 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.06 63.14 2.55 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.557 2.171 . . . . 0.0 112.292 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -156.12 153.17 28.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.56 91.22 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -75.12 146.74 41.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 3.7 mp -108.68 98.35 28.35 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.136 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -52.63 168.97 0.38 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.481 2.121 . . . . 0.0 112.208 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.77 127.54 13.93 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.522 2.148 . . . . 0.0 112.37 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . -83.86 58.28 5.02 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -170.41 34.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.757 0.313 . . . . 0.0 110.931 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -156.46 -60.67 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.089 0 CA-C-O 118.403 -1.22 . . . . 0.0 112.561 179.938 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.702 0.287 . . . . 0.0 111.183 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -165.64 101.88 0.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.056 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -104.26 -179.9 4.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 16.3 ptp -167.58 -165.43 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.712 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -104.8 160.54 25.65 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.518 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -85.69 35.79 0.51 Allowed 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.72 2.28 . . . . 0.0 112.994 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.32 22.26 14.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.563 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.425 ' CZ2' HG12 ' A' ' 125' ' ' ILE . 14.8 p-90 -85.87 135.5 33.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.899 0.38 . . . . 0.0 110.93 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.71 108.74 62.42 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.909 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -79.8 155.26 23.6 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.452 2.101 . . . . 0.0 112.324 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -172.76 -76.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.826 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -88.11 -50.2 6.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.055 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -61.14 -28.73 69.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.035 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -63.21 -52.03 63.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.955 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.9 mt -73.8 -30.12 27.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.157 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.82 -45.19 62.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.426 HD12 ' CZ2' ' A' ' 108' ' ' TRP . 15.9 mt -71.79 -44.66 63.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.922 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.31 -42.73 96.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.275 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.55 -37.91 89.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.222 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 19.1 tp -81.44 -28.11 34.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.782 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.434 ' CG ' ' HG3' ' A' ' 141' ' ' GLN . 46.2 m0 -75.87 -13.36 60.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.34 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 110.5 37.17 1.8 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.67 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.8 t -143.34 110.64 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.869 0.366 . . . . 0.0 111.051 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -90.92 119.3 31.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.232 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.5 mt -123.42 108.64 12.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.785 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.55 -47.04 7.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.833 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.56 166.58 41.71 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.43 155.69 68.89 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.548 2.165 . . . . 0.0 112.264 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 21.4 t -88.79 148.72 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.9 p -89.56 151.71 21.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.843 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.1 m -72.11 -30.71 65.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.984 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -59.41 -37.0 76.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -72.22 -40.6 67.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.931 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.8 tp -68.68 -53.5 21.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.18 -37.67 77.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 93.7 p -61.53 -49.86 75.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -61.98 -44.84 95.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.425 HG12 ' CZ2' ' A' ' 95' ' ' TRP . 15.6 mt -62.6 -45.92 97.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.169 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.9 -44.37 97.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.092 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.44 -35.99 78.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.846 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . 0.515 ' CZ3' ' CZ ' ' A' ' 135' ' ' PHE . 1.8 t-105 -62.48 -40.86 98.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.742 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -70.4 -40.17 74.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.001 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -73.7 -19.32 60.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.465 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -59.2 -49.67 76.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.97 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 60.98 40.79 98.96 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.648 -0.786 . . . . 0.0 112.451 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 5.0 tttm -150.34 142.89 24.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.724 0.297 . . . . 0.0 110.758 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 20.3 t -103.61 141.74 18.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.29 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.515 ' CZ ' ' CZ3' ' A' ' 128' ' ' TRP . 0.1 OUTLIER -143.13 162.3 35.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.703 179.708 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -63.67 178.78 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.917 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -71.35 -38.84 71.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.931 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 26.2 t -58.2 -34.26 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -66.45 -43.86 84.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.452 ' CH2' ' CD1' ' A' ' 144' ' ' LEU . 1.1 t90 -66.12 -29.36 69.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.875 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.434 ' HG3' ' CG ' ' A' ' 108' ' ' TRP . 12.5 tt0 -71.3 -53.92 12.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.971 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -63.89 -37.47 87.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.061 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -65.23 -54.23 32.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.044 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.452 ' CD1' ' CH2' ' A' ' 140' ' ' TRP . 0.8 OUTLIER -62.73 -39.57 94.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.052 -179.878 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -68.94 -49.77 55.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.156 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -63.34 -30.85 71.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.004 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 56.1 p -71.44 -40.18 70.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.002 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 94.8 mt -77.14 -43.52 33.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.998 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -63.27 -51.98 63.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.995 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 18.0 mt -79.72 -19.55 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.466 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -81.11 -34.71 25.96 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.553 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -68.61 -30.75 69.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.792 0.329 . . . . 0.0 110.961 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -63.18 -29.2 70.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.206 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 53.7 p -59.49 -39.26 83.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.036 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -59.01 135.44 57.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.977 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 137.17 144.3 4.74 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.542 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 74.85 49.77 9.8 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.597 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.416 ' CB ' ' CD ' ' A' ' 159' ' ' PRO . 0.2 OUTLIER -79.47 -62.5 0.42 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.508 0.194 . . . . 0.0 111.19 -179.846 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . 0.416 ' CD ' ' CB ' ' A' ' 158' ' ' LEU . 50.8 Cg_endo -69.61 118.55 5.75 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.413 2.075 . . . . 0.0 112.378 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.0 -33.83 6.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -131.05 17.7 5.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -137.95 87.62 2.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.776 0.322 . . . . 0.0 110.908 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 11.0 p -149.93 56.79 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 58.79 87.66 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.943 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 2.3 m 60.2 161.27 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.818 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 21.5 t -137.08 139.01 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.128 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.83 132.54 13.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -103.4 104.0 38.76 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -50.31 168.23 0.2 Allowed 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.45 2.1 . . . . 0.0 112.406 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -71.37 132.43 44.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 4.5 t -95.65 46.25 1.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -127.87 124.21 36.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 68.9 mt 50.34 82.3 0.24 Allowed Pre-proline 0 C--N 1.332 -0.177 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.359 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.99 135.92 26.28 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.619 2.212 . . . . 0.0 112.254 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -73.37 137.46 25.72 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.458 2.105 . . . . 0.0 112.293 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . -127.87 124.95 5.0 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.472 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -126.64 104.76 8.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.818 0.342 . . . . 0.0 110.852 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 61.1 155.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.425 -1.208 . . . . 0.0 112.52 -179.977 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.415 ' HA ' ' CD2' ' A' ' 136' ' ' HIS . 4.0 mtt . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.827 0.346 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -156.49 98.15 1.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -78.9 -179.8 6.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.017 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 6.8 mtm -162.73 -170.9 2.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.922 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -123.24 163.17 35.52 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.261 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -85.38 22.04 1.0 Allowed 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.664 2.243 . . . . 0.0 113.128 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.25 27.27 9.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.597 0.237 . . . . 0.0 111.432 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.408 ' CE3' ' HD3' ' A' ' 97' ' ' PRO . 44.9 p-90 -76.42 124.49 27.63 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.871 0.367 . . . . 0.0 110.795 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -97.33 105.21 23.71 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.408 ' HD3' ' CE3' ' A' ' 95' ' ' TRP . 62.4 Cg_endo -72.86 144.97 39.71 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.453 2.102 . . . . 0.0 112.385 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -178.12 -77.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.886 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -88.15 -50.84 6.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.889 0.376 . . . . 0.0 111.272 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.84 -31.15 62.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.198 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.421 ' CE1' HD12 ' A' ' 112' ' ' LEU . 1.6 t80 -62.47 -46.92 86.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.042 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 38.9 mt -74.56 -39.74 47.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -53.71 50.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.416 HD11 ' CZ2' ' A' ' 108' ' ' TRP . 19.9 mt -65.72 -45.06 84.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.97 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.85 -43.85 97.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.08 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.04 -36.01 76.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 17.5 tp -81.35 -35.02 31.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.778 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.426 ' CZ2' ' HB3' ' A' ' 141' ' ' GLN . 54.9 m0 -73.99 -13.44 60.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.401 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 92.23 39.59 5.36 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.456 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 25.5 t -127.7 120.8 55.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.34 . . . . 0.0 111.054 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -108.71 105.74 15.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.421 HD12 ' CE1' ' A' ' 101' ' ' PHE . 1.7 mt -88.92 141.49 28.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.77 -48.49 2.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -108.02 165.49 12.65 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.793 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -68.22 152.7 75.81 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.59 2.193 . . . . 0.0 112.239 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 11.0 p -73.81 135.57 27.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.038 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 70.1 p -67.1 151.43 47.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 19.1 p -62.47 -37.86 87.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.01 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -60.42 -40.81 92.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.48 -48.6 74.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.9 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 2.2 tp -68.48 -48.84 63.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.37 -31.8 69.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.254 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.6 m -74.93 -41.94 58.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.422 ' CZ ' HD12 ' A' ' 144' ' ' LEU . 1.1 t80 -66.84 -47.86 70.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.816 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 52.7 mt -66.88 -40.72 86.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.057 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.08 -55.46 34.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.197 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -66.4 -31.1 71.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.896 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . 0.498 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 5.2 t-105 -72.19 -31.95 66.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.915 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.54 -39.65 45.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -75.32 -30.55 60.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.1 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.06 -49.94 75.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 56.82 36.95 74.93 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.555 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -113.74 -164.42 0.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.725 0.298 . . . . 0.0 110.835 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 10.9 t -139.93 142.05 32.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.027 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.498 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 0.8 OUTLIER -137.13 171.16 14.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.785 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . 0.415 ' CD2' ' HA ' ' A' ' 88' ' ' MET . 3.9 m-70 -92.29 177.87 6.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.774 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 21.5 p80 -69.18 -34.22 74.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.932 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.3 -41.52 83.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -67.8 -32.5 73.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.031 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.418 ' CZ2' HD11 ' A' ' 144' ' ' LEU . 9.2 t90 -69.97 -42.37 73.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.426 ' HB3' ' CZ2' ' A' ' 108' ' ' TRP . 8.6 pt20 -73.68 -35.44 65.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.065 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -71.6 -39.47 70.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.162 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -70.37 -54.31 13.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.149 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.422 HD12 ' CZ ' ' A' ' 124' ' ' PHE . 0.2 OUTLIER -59.75 -56.03 26.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.12 -179.775 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -55.93 -55.03 37.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.39 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.18 -31.29 68.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.114 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 24.3 m -73.33 -44.94 57.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.895 0.379 . . . . 0.0 111.058 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 9.4 mt -59.72 -39.39 84.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.021 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -68.5 -57.85 5.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 31.6 mm -62.6 -18.99 21.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.313 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -78.36 -46.48 8.95 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.509 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 -77.24 -29.96 54.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.81 0.338 . . . . 0.0 111.09 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -68.75 -41.44 78.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.261 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 80.7 p -92.72 -41.83 9.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.997 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -109.29 154.56 22.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -167.94 -49.31 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.564 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 90.87 132.04 5.15 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.461 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 3.3 mp -105.86 118.85 54.18 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 120.506 0.193 . . . . 0.0 110.771 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.87 86.01 0.75 Allowed 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.369 2.046 . . . . 0.0 112.288 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 28.8 mttp 60.32 68.6 0.75 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 51.6 mtt180 59.82 176.32 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -119.75 140.35 50.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 12.8 p -100.88 140.09 20.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.073 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -76.8 72.1 3.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.047 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 3.6 t -178.85 42.32 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.939 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 20.3 t -139.06 143.88 30.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 14.1 m -170.9 97.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.801 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' GLU . . . . . 0.405 ' CB ' ' HD3' ' A' ' 169' ' ' PRO . 1.2 tm-20 -89.28 -55.18 0.3 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.033 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' PRO . . . . . 0.405 ' HD3' ' CB ' ' A' ' 168' ' ' GLU . 83.1 Cg_endo -87.83 21.28 1.05 Allowed 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.792 2.328 . . . . 0.0 112.899 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.08 136.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.92 0.391 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 91.8 p -88.87 140.77 29.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.82 148.95 41.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 7.6 mt -119.26 108.94 39.42 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.97 134.82 26.23 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.439 2.092 . . . . 0.0 112.272 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -73.31 101.32 1.34 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.476 2.118 . . . . 0.0 112.284 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . -157.42 -119.5 0.59 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.526 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -123.69 166.47 15.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.912 0.387 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -103.9 -58.7 1.84 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.089 0 CA-C-O 118.408 -1.218 . . . . 0.0 112.508 179.98 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.582 ' HB3' HG12 ' A' ' 134' ' ' VAL . 1.6 mpp? . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.826 0.346 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -147.71 114.44 6.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.481 ' N ' HG13 ' A' ' 134' ' ' VAL . . . -89.56 -179.98 5.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.035 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -169.52 -171.46 1.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -118.3 156.16 51.07 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.676 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -85.24 35.4 0.52 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.774 2.316 . . . . 0.0 112.959 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.2 18.99 17.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.293 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.4 ' O ' ' CE3' ' A' ' 95' ' ' TRP . 26.1 p-90 -81.47 145.75 30.58 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 120.845 0.355 . . . . 0.0 111.021 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -110.63 149.76 40.76 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.84 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.9 146.29 58.85 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.587 2.192 . . . . 0.0 112.273 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -158.58 -172.34 3.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.31 -30.56 69.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.077 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.51 -32.5 70.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -62.3 -47.57 83.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 10.6 mt -76.74 -37.57 28.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.086 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -52.12 65.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.44 HD22 ' CZ2' ' A' ' 108' ' ' TRP . 17.1 mt -66.14 -44.26 84.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.15 -42.73 95.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.068 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.17 -36.1 82.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.087 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 16.8 tp -81.47 -30.85 33.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.73 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.44 ' CZ2' HD22 ' A' ' 104' ' ' LEU . 52.8 m0 -72.21 -13.37 61.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.32 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 107.3 37.58 2.27 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.676 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.592 HG21 ' HA ' ' A' ' 145' ' ' ALA . 24.2 t -140.12 119.05 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.813 0.34 . . . . 0.0 111.118 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -98.91 103.24 15.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.1 mt -86.53 118.28 25.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 48.1 mmm-85 -98.11 -59.28 1.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -90.59 150.02 41.77 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.15 159.48 4.07 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.603 2.202 . . . . 0.0 112.363 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 1.005 HG11 HD13 ' A' ' 121' ' ' LEU . 27.7 t -74.71 140.85 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.085 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 76.9 p -91.57 157.93 16.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.5 p -70.64 -41.74 71.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -59.74 -36.99 77.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.52 -50.4 31.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 1.005 HD13 HG11 ' A' ' 116' ' ' VAL . 2.4 tp -61.27 -49.33 77.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.27 -37.89 81.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.4 m -59.73 -48.33 82.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.983 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -60.52 -42.33 96.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.957 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 37.4 mt -71.0 -30.76 42.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.053 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.37 -48.11 79.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -77.11 -31.6 55.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' TRP . . . . . 0.497 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 4.3 t-105 -63.01 -46.97 85.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.786 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -77.49 -35.38 53.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.876 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.04 -30.76 70.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -70.79 -42.05 70.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 59.38 35.22 84.15 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.407 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.52 -164.85 0.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.807 0.337 . . . . 0.0 110.741 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.582 HG12 ' HB3' ' A' ' 88' ' ' MET . 4.4 t -135.98 142.1 39.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.948 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.497 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 4.2 m-85 -132.24 140.28 48.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.956 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' HIS . . . . . 0.426 ' CG ' ' HA ' ' A' ' 88' ' ' MET . 2.9 m-70 -68.39 174.25 4.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.62 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' HIS . . . . . 0.665 ' CE1' HG23 ' A' ' 138' ' ' VAL . 32.3 p-80 -63.14 -49.75 73.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.852 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.665 HG23 ' CE1' ' A' ' 137' ' ' HIS . 23.3 t -60.7 -37.8 76.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.804 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -63.67 -33.79 76.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.519 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.441 ' CZ2' HD11 ' A' ' 144' ' ' LEU . 0.2 OUTLIER -69.07 -42.95 75.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.813 179.819 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 141' ' ' GLN . . . . . 0.43 ' HG2' ' CZ2' ' A' ' 108' ' ' TRP . 43.3 mt-30 -61.14 -41.32 96.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.038 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -73.38 -42.72 61.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.361 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.73 -53.64 54.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.028 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.441 HD11 ' CZ2' ' A' ' 140' ' ' TRP . 0.2 OUTLIER -67.28 -31.91 72.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.006 -179.833 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 145' ' ' ALA . . . . . 0.592 ' HA ' HG21 ' A' ' 110' ' ' VAL . . . -70.53 -60.07 2.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.169 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 146' ' ' ARG . . . . . 0.495 ' O ' HD12 ' A' ' 150' ' ' ILE . 3.9 mtm-85 -60.76 -29.01 69.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.929 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.9 m -66.55 -52.48 45.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 83.3 mt -75.06 -30.68 61.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -67.9 -57.78 5.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.968 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.495 HD12 ' O ' ' A' ' 146' ' ' ARG . 6.5 mt -75.39 -19.75 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.328 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.516 -179.959 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.472 ' HB3' HG12 ' A' ' 134' ' ' VAL . 2.1 mtp . . . . . 0 N--CA 1.488 1.447 0 CA-C-O 120.835 0.35 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.407 ' CD1' ' O ' ' A' ' 88' ' ' MET . 55.8 m-85 -152.07 111.96 4.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.953 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.556 ' HB2' HG22 ' A' ' 134' ' ' VAL . . . -97.6 169.48 9.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.032 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 9.0 mtm -144.56 -166.52 2.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -119.37 155.44 53.92 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.765 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -87.52 39.57 0.57 Allowed 'Trans proline' 0 N--CA 1.459 -0.502 0 C-N-CA 122.901 2.4 . . . . 0.0 112.684 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -112.55 -15.49 13.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.308 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 40.0 p-90 -53.64 151.55 5.96 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.867 0.365 . . . . 0.0 111.184 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -136.79 149.68 67.63 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.91 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.22 151.44 17.17 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.534 2.156 . . . . 0.0 112.311 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -172.56 -176.4 1.52 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.24 -31.39 70.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.031 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -63.07 -31.81 73.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.463 ' CZ ' HD21 ' A' ' 144' ' ' LEU . 0.1 OUTLIER -61.42 -50.62 72.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 33.7 mm -69.19 -35.81 69.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.27 -50.5 73.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.808 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.509 HD13 ' CZ2' ' A' ' 108' ' ' TRP . 13.0 mt -68.51 -41.85 79.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.81 -37.54 87.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.163 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.98 -43.02 89.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.185 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 20.0 tp -81.39 -27.95 34.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.818 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.509 ' CZ2' HD13 ' A' ' 104' ' ' LEU . 26.1 m0 -68.15 -13.48 62.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.279 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 99.41 43.62 2.5 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.5 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 17.5 t -136.61 110.71 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.849 0.357 . . . . 0.0 111.052 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -81.32 116.83 21.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.057 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.439 HD22 ' N ' ' A' ' 112' ' ' LEU . 3.8 mm? -75.06 114.02 13.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.62 -31.24 10.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -133.97 159.44 72.39 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.08 165.55 23.74 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.58 2.187 . . . . 0.0 112.247 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 26.5 t -78.41 120.24 28.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.082 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 22.9 p -87.11 153.57 21.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 7.4 m -69.06 -31.38 70.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -60.86 -43.68 98.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -68.57 -45.25 72.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 40.4 mt -61.72 -48.5 80.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.948 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.12 -43.82 97.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.137 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 26.5 p -61.98 -32.63 73.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -70.47 -51.06 31.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 47.3 mt -68.19 -30.49 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.136 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.69 -58.08 6.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.123 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -67.77 -35.38 78.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.983 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' TRP . . . . . 0.499 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 4.5 t-105 -69.9 -42.08 73.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.707 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -75.37 -36.23 60.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.931 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.3 -44.94 82.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -63.03 -49.3 75.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.982 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 62.7 36.57 93.47 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.421 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -102.19 -162.66 0.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.819 0.342 . . . . 0.0 110.756 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.556 HG22 ' HB2' ' A' ' 90' ' ' ALA . 16.6 t -134.22 141.91 42.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.173 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.499 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 6.6 m-85 -130.17 163.46 26.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -90.59 178.46 6.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.757 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 33.0 t60 -61.2 -56.39 21.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.818 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 26.5 t -62.77 -34.96 68.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.99 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -63.08 -46.08 89.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.776 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.624 ' CZ3' HD13 ' A' ' 144' ' ' LEU . 1.7 t90 -62.83 -38.46 90.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.574 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' GLN . . . . . 0.439 ' HG3' ' CD2' ' A' ' 108' ' ' TRP . 12.8 tt0 -61.82 -52.61 63.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.831 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -65.86 -30.45 71.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.58 -54.27 45.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.996 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.624 HD13 ' CZ3' ' A' ' 140' ' ' TRP . 0.1 OUTLIER -67.17 -42.44 84.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -61.33 -50.62 72.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.049 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.65 -32.45 72.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.765 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.4 t -65.1 -52.53 54.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 9.4 mt -62.41 -30.02 70.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.828 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -65.54 -57.58 7.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 38.7 mm -64.97 -21.76 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.311 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.474 179.953 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.725 ' HB3' HG12 ' A' ' 134' ' ' VAL . 1.6 mtp . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.71 0.291 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.413 ' C ' HG13 ' A' ' 134' ' ' VAL . 1.4 p90 -167.16 124.94 1.26 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.914 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.461 ' N ' HG13 ' A' ' 134' ' ' VAL . . . -88.67 108.87 19.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.249 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 18.1 mtp -76.8 -174.64 3.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -113.38 163.5 18.18 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.682 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -86.11 38.08 0.58 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.836 2.357 . . . . 0.0 112.649 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.15 -17.57 12.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.306 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.405 ' CE3' ' O ' ' A' ' 95' ' ' TRP . 37.8 p-90 -52.42 137.29 29.85 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.831 0.348 . . . . 0.0 111.294 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -132.35 167.68 21.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.833 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.41 145.92 54.73 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.491 2.128 . . . . 0.0 112.353 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -165.73 -170.97 1.93 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.76 -42.07 96.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.048 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -60.19 -31.85 70.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.413 ' CE1' HD21 ' A' ' 144' ' ' LEU . 46.6 t80 -64.53 -42.71 95.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 34.1 mt -75.29 -33.22 27.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -53.22 41.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.88 HD23 ' CZ2' ' A' ' 108' ' ' TRP . 6.9 mp -64.41 -42.79 95.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.782 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.98 -41.5 98.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.113 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.1 -34.65 76.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 19.7 tp -81.52 -31.55 32.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.673 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.88 ' CZ2' HD23 ' A' ' 104' ' ' LEU . 51.5 m0 -72.62 -13.41 61.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.307 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 105.53 47.3 1.13 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.439 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.5 t -139.23 114.28 8.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.766 0.317 . . . . 0.0 111.2 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -104.96 118.79 37.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.042 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.8 150.83 42.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.86 -44.58 4.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.5 163.26 17.37 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.01 145.16 66.69 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.583 2.189 . . . . 0.0 112.362 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 21.2 t -62.68 139.96 20.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.096 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 22.9 p -75.82 157.69 33.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.825 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 11.7 p -70.92 -28.63 64.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -57.78 -42.13 83.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.036 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.461 ' OE1' HD23 ' A' ' 148' ' ' LEU . 11.2 tt0 -67.02 -44.27 80.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 11.0 mp -65.54 -46.69 78.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.985 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.24 -38.11 89.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.061 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 22.6 m -68.87 -33.43 73.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.859 ' CZ ' HD12 ' A' ' 144' ' ' LEU . 1.4 t80 -69.58 -43.51 72.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 26.9 mt -69.67 -33.5 56.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.17 -49.26 70.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.03 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -73.53 -31.91 63.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' TRP . . . . . 0.504 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 5.2 t-105 -67.26 -45.98 75.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.717 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -76.05 -34.0 59.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.43 -30.81 64.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.079 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -68.53 -39.9 80.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 59.77 45.49 95.67 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.525 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.46 -164.76 1.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.836 0.35 . . . . 0.0 110.766 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.725 HG12 ' HB3' ' A' ' 88' ' ' MET . 4.3 t -141.21 142.11 29.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.998 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.504 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 3.6 m-85 -132.48 160.03 37.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.865 0.364 . . . . 0.0 111.05 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' HIS . . . . . 0.442 ' CD2' ' HG3' ' A' ' 88' ' ' MET . 0.5 OUTLIER -87.83 177.61 6.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.768 179.817 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -63.0 -46.26 88.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 21.3 t -63.32 -37.97 80.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.937 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -66.86 -32.4 73.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.687 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 9.4 t90 -69.39 -43.83 72.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' GLN . . . . . 0.448 ' HB2' ' CD2' ' A' ' 108' ' ' TRP . 2.9 pt20 -73.83 -30.46 62.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.959 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -75.03 -46.92 31.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.03 -54.41 38.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.935 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.859 HD12 ' CZ ' ' A' ' 124' ' ' PHE . 0.2 OUTLIER -58.97 -48.0 83.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.011 -179.83 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -59.11 -52.7 64.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.11 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -30.53 71.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.963 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 5.7 t -69.68 -48.0 61.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.461 HD23 ' OE1' ' A' ' 120' ' ' GLU . 3.4 mt -66.39 -29.65 69.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -66.96 -57.85 6.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.052 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -67.43 -27.25 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.297 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.438 179.946 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.408 ' HB2' HG12 ' A' ' 134' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.788 0.328 . . . . 0.0 111.113 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -160.12 120.69 2.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.428 ' HB2' HG22 ' A' ' 134' ' ' VAL . . . -81.08 -179.88 7.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.03 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -173.77 -165.84 0.27 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.812 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 10.4 p90 -114.46 149.41 42.14 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.623 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -84.93 35.49 0.53 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.72 2.28 . . . . 0.0 112.787 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -113.19 9.99 18.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.477 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.462 ' CZ2' HG12 ' A' ' 125' ' ' ILE . 38.0 p-90 -71.88 140.14 49.16 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 120.849 0.357 . . . . 0.0 110.852 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -107.68 145.43 31.31 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.32 143.74 52.31 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.546 2.164 . . . . 0.0 112.318 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -152.45 -176.85 5.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.29 -30.64 68.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.137 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -59.49 -32.31 70.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.96 -52.94 62.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 19.5 mt -73.03 -30.55 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.027 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.45 -52.22 59.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.945 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.761 HD23 ' CZ2' ' A' ' 108' ' ' TRP . 6.9 mp -66.24 -46.25 77.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.71 -32.16 73.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.28 -32.74 49.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.159 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 17.5 tp -81.47 -30.99 33.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.672 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.761 ' CZ2' HD23 ' A' ' 104' ' ' LEU . 52.9 m0 -74.84 -13.42 60.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.235 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 95.75 35.38 5.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.539 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.5 t -112.61 110.64 32.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.833 0.349 . . . . 0.0 111.088 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -120.06 129.8 54.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.091 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.4 mp -102.6 159.22 15.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -101.28 -40.53 7.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -123.88 160.58 51.01 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.79 125.06 11.69 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.593 2.195 . . . . 0.0 112.322 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.484 HG12 ' N ' ' A' ' 117' ' ' THR . 27.9 t -75.29 158.49 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.029 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.484 ' N ' HG12 ' A' ' 116' ' ' VAL . 0.2 OUTLIER -102.97 170.4 7.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.943 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 71.8 p -61.87 -23.2 66.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.062 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -53.56 -43.56 68.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.1 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -65.75 -49.01 69.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 13.4 mt -60.39 -49.99 75.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.45 -32.65 70.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.17 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.05 -41.93 85.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.99 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -67.03 -48.04 69.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.008 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.462 HG12 ' CZ2' ' A' ' 95' ' ' TRP . 49.2 mt -59.89 -43.96 93.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.023 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.43 -45.56 91.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.053 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -67.56 -35.51 79.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' TRP . . . . . 0.424 ' CE3' ' CE2' ' A' ' 135' ' ' PHE . 6.5 t-105 -65.95 -52.33 50.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.772 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.07 -30.48 66.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.937 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.34 -40.4 62.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.119 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -59.95 -39.57 86.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 59.47 38.08 93.01 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.412 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.14 -165.4 1.4 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.822 0.344 . . . . 0.0 110.824 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.428 HG22 ' HB2' ' A' ' 90' ' ' ALA . 20.2 t -131.92 141.96 44.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.107 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.424 ' CE2' ' CE3' ' A' ' 128' ' ' TRP . 6.0 m-85 -128.44 156.96 42.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.987 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' HIS . . . . . 0.416 ' CD2' ' N ' ' A' ' 136' ' ' HIS . 5.2 m170 -87.7 171.81 10.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -67.13 -45.1 78.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.819 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.14 -32.88 57.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.996 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -71.25 -38.96 71.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.757 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 25.3 t90 -65.58 -44.29 87.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.811 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' GLN . . . . . 0.468 ' HB3' ' CZ2' ' A' ' 108' ' ' TRP . 4.2 pt20 -70.93 -42.89 69.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.043 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -62.96 -50.57 70.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.256 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.58 -54.16 50.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.293 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.93 -43.79 86.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.219 -179.674 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -66.84 -60.12 2.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.42 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 1.2 mmt-85 -58.46 -30.29 66.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.162 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 36.9 t -71.1 -52.64 18.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.057 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 65.8 mt -59.79 -30.04 68.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -54.27 15.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 28.5 mm -69.54 -20.51 23.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.329 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.477 -179.966 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.663 ' HB3' HG12 ' A' ' 134' ' ' VAL . 6.3 mtp . . . . . 0 N--CA 1.489 1.483 0 CA-C-O 120.835 0.35 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -146.74 110.39 4.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.535 ' HB2' HG22 ' A' ' 134' ' ' VAL . . . -79.77 104.68 10.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.126 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 4.4 mmm -76.79 -170.49 1.61 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -115.06 141.98 27.81 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.545 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -84.92 34.12 0.5 Allowed 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.683 2.256 . . . . 0.0 112.899 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.24 -8.54 13.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.385 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 50.0 p-90 -53.53 140.26 28.87 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 120.936 0.398 . . . . 0.0 111.191 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -103.94 154.62 37.96 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.822 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.86 141.05 63.52 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.562 2.175 . . . . 0.0 112.254 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -157.15 179.41 9.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.03 -29.76 71.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.136 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -58.65 -31.31 68.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.44 ' CZ ' HD11 ' A' ' 144' ' ' LEU . 0.3 OUTLIER -64.73 -44.11 91.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 32.9 mt -73.9 -34.49 39.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.085 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.47 -55.38 34.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.602 HD13 ' CZ2' ' A' ' 108' ' ' TRP . 15.9 mt -63.9 -44.5 92.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.53 -42.49 98.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.137 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.32 -38.88 91.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 18.4 tp -81.54 -31.28 32.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.729 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.602 ' CZ2' HD13 ' A' ' 104' ' ' LEU . 46.5 m0 -70.96 -13.43 62.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.311 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 109.27 43.12 1.2 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.454 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.6 t -128.49 118.39 47.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.789 0.328 . . . . 0.0 111.117 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -118.18 95.52 4.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 23.0 mt -93.66 128.5 39.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.956 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -60.55 2.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -90.55 160.72 38.45 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.3 173.16 0.13 Allowed 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.557 2.171 . . . . 0.0 112.35 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.443 HG13 ' O ' ' A' ' 116' ' ' VAL . 11.3 p -77.09 123.72 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.163 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -93.07 160.59 14.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.25 -29.25 63.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.96 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -57.03 -47.3 81.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.08 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -66.82 -44.33 81.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.808 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 13.2 mt -62.81 -51.78 65.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -58.39 -33.63 69.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 15.0 t -64.84 -47.37 78.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.436 ' CE1' ' HG ' ' A' ' 144' ' ' LEU . 54.1 t80 -62.69 -48.04 81.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.949 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 54.9 mt -64.19 -32.89 59.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.996 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.51 -41.5 93.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -77.0 -35.76 56.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' TRP . . . . . 0.502 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 8.7 t-105 -66.39 -38.5 87.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.793 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -74.0 -43.71 57.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.25 -31.37 69.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.067 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.46 -49.98 71.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 58.72 34.04 75.34 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.562 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.33 -164.13 0.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.775 0.321 . . . . 0.0 110.796 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.663 HG12 ' HB3' ' A' ' 88' ' ' MET . 4.8 t -139.14 142.07 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.502 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 0.6 OUTLIER -139.77 171.17 14.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.948 -179.894 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 136' ' ' HIS . . . . . 0.443 ' CE1' ' HG3' ' A' ' 88' ' ' MET . 4.1 m-70 -95.32 -169.08 1.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.623 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' HIS . . . . . 0.636 ' CE1' HG23 ' A' ' 138' ' ' VAL . 38.9 p-80 -71.3 -45.14 63.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.713 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.636 HG23 ' CE1' ' A' ' 137' ' ' HIS . 21.7 t -63.97 -43.06 97.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.972 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -60.79 -38.94 87.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.766 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.419 ' CZ3' HD12 ' A' ' 144' ' ' LEU . 1.1 t90 -67.7 -34.67 77.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.574 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' GLN . . . . . 0.429 ' HG3' ' CG ' ' A' ' 108' ' ' TRP . 13.1 tt0 -65.14 -58.07 6.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.919 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -60.47 -35.3 75.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.975 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt -65.06 -54.06 36.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.968 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.746 HD22 HD11 ' A' ' 148' ' ' LEU . 0.4 OUTLIER -65.28 -42.05 93.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.007 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -58.65 -60.01 4.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.229 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 31.7 mtt85 -59.05 -30.13 67.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.042 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 10.6 t -70.47 -36.66 74.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.746 HD11 HD22 ' A' ' 144' ' ' LEU . 14.5 mt -79.91 -35.23 38.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.959 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.56 -49.73 24.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.964 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 23.9 mt -81.77 -20.58 10.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.392 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 -179.936 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.626 ' HB3' HG12 ' A' ' 134' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.856 0.36 . . . . 0.0 111.195 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -139.66 110.54 6.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.938 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.836 ' HB2' HG13 ' A' ' 134' ' ' VAL . . . -106.17 179.57 4.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 7.0 ptp -174.01 -172.56 0.73 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.809 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -94.44 163.68 22.25 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.685 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -87.11 39.59 0.61 Allowed 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 122.837 2.358 . . . . 0.0 112.57 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -110.38 -9.14 14.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.712 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.492 ' CZ2' HG12 ' A' ' 125' ' ' ILE . 29.1 p-90 -61.47 145.91 50.26 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 120.793 0.33 . . . . 0.0 110.945 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -120.42 154.13 56.44 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -68.84 146.12 64.82 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.638 2.225 . . . . 0.0 112.271 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.0 -171.14 3.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.76 -33.68 72.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.075 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -60.53 -30.89 70.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.751 ' CZ ' HD21 ' A' ' 144' ' ' LEU . 9.3 t80 -60.54 -50.22 74.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 33.8 mt -76.16 -35.73 29.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.175 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -46.14 83.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.419 HD22 ' CZ2' ' A' ' 108' ' ' TRP . 18.1 mt -69.54 -43.45 72.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.3 -34.92 74.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.59 -39.12 88.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.045 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 20.2 tp -81.44 -29.67 33.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.755 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.442 ' CD2' ' HB2' ' A' ' 141' ' ' GLN . 52.0 m0 -73.03 -13.44 61.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.28 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 107.0 47.97 0.98 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.591 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.6 t -141.11 125.68 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.82 0.343 . . . . 0.0 111.148 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -111.04 104.35 12.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.052 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 45.3 mt -118.93 118.36 31.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.31 -34.11 63.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.2 163.41 20.13 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -65.04 174.51 4.74 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.532 2.155 . . . . 0.0 112.265 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 21.1 t -67.1 154.71 7.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.138 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.55 161.16 13.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.872 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.5 p -65.7 -42.81 90.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -59.01 -40.17 84.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -48.42 72.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.7 -40.9 88.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.09 -37.23 79.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.124 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.2 m -74.03 -35.08 64.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.775 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.588 ' CZ ' HD12 ' A' ' 144' ' ' LEU . 3.0 t80 -66.1 -58.85 4.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.492 HG12 ' CZ2' ' A' ' 95' ' ' TRP . 63.6 mt -60.38 -41.47 87.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.72 -59.07 6.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.081 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -64.26 -30.95 71.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.745 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' TRP . . . . . 0.501 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 9.2 t-105 -67.09 -41.89 85.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.766 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -76.3 -42.99 43.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.43 -30.83 71.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.071 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.65 -49.95 75.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 67.96 37.24 87.67 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.521 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -129.12 -166.18 1.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.752 0.31 . . . . 0.0 110.753 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.836 HG13 ' HB2' ' A' ' 90' ' ' ALA . 2.8 t -130.99 142.06 44.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.048 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.501 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 12.9 m-85 -124.54 148.17 47.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.957 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' HIS . . . . . 0.43 ' CG ' ' HA ' ' A' ' 88' ' ' MET . 0.3 OUTLIER -88.34 -173.3 4.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 179.863 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 23.1 m80 -67.74 -44.01 78.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 26.5 t -67.71 -40.76 84.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.044 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -66.13 -36.75 83.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 13.9 t90 -65.88 -45.28 82.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' GLN . . . . . 0.442 ' HB2' ' CD2' ' A' ' 108' ' ' TRP . 4.2 pt20 -73.06 -41.0 64.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.068 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.38 -49.9 67.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.04 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.31 -53.21 60.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.97 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.751 HD21 ' CZ ' ' A' ' 101' ' ' PHE . 0.3 OUTLIER -59.55 -47.84 83.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.93 -179.88 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -60.42 -43.96 96.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.64 -29.09 66.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.95 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.2 m -72.08 -44.35 63.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.972 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.44 ' CD1' HD23 ' A' ' 144' ' ' LEU . 34.7 mt -71.61 -36.1 70.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.976 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -63.66 -56.04 18.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.0 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 29.7 mt -78.02 -19.68 13.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.412 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.548 180.0 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.626 ' HB2' HG12 ' A' ' 134' ' ' VAL . 8.7 ptp . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.739 0.304 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 55.7 p90 -164.42 123.19 1.84 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.011 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -105.79 -179.97 4.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.089 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.09 -166.84 1.5 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.968 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -100.26 158.54 31.79 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.467 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -83.44 35.58 0.57 Allowed 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.619 2.213 . . . . 0.0 112.977 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -113.53 -8.61 13.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.467 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 37.9 p-90 -54.81 157.85 2.94 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 120.913 0.387 . . . . 0.0 111.417 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -128.84 139.54 35.94 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.733 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.2 172.46 0.15 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.478 2.118 . . . . 0.0 112.323 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -169.05 -171.49 1.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.94 -30.47 70.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.466 ' OD1' HD13 ' A' ' 104' ' ' LEU . 18.9 t0 -64.71 -33.5 76.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.93 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.2 -54.71 42.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.836 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 5.2 mt -64.24 -42.36 95.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -48.9 79.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.939 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.904 HD23 ' CZ2' ' A' ' 108' ' ' TRP . 7.7 mp -68.82 -38.54 79.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.99 -39.21 88.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.55 -30.64 47.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.149 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 17.5 tp -81.46 -30.69 33.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.702 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.904 ' CZ2' HD23 ' A' ' 104' ' ' LEU . 49.6 m0 -73.05 -13.42 61.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.309 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 101.74 44.04 2.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.606 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.3 t -141.61 117.86 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.761 0.315 . . . . 0.0 111.056 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -100.99 124.23 46.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.117 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.5 mp -118.26 110.45 17.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -95.82 -35.75 11.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.841 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.51 154.13 50.89 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -69.11 135.14 31.17 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.573 2.182 . . . . 0.0 112.285 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 11.0 p -59.58 144.8 12.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.057 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 40.6 p -103.09 151.17 22.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.9 t -64.86 -31.48 72.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.56 -36.51 84.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -70.91 -50.7 32.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 19.8 mt -63.28 -47.12 83.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.79 -39.66 85.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 57.3 p -62.11 -43.75 98.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.418 ' CZ ' ' HG ' ' A' ' 144' ' ' LEU . 45.2 t80 -60.78 -48.48 81.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.937 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 59.3 mt -62.44 -32.88 56.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.03 -51.32 68.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.95 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -67.15 -32.02 72.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.693 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' TRP . . . . . 0.495 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 7.9 t-105 -67.74 -40.72 84.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.635 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -76.93 -35.29 57.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -76.5 -28.15 56.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.17 -42.65 91.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.833 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 60.88 45.2 97.0 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.447 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -142.71 -175.08 4.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.802 0.334 . . . . 0.0 110.564 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.626 HG12 ' HB2' ' A' ' 88' ' ' MET . 12.1 t -130.51 142.11 44.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.066 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.495 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 2.1 m-85 -126.63 164.04 22.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.926 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' HIS . . . . . 0.425 ' CE1' ' HB3' ' A' ' 88' ' ' MET . 0.7 OUTLIER -92.13 174.05 7.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.749 179.853 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 33.0 t-80 -64.72 -48.81 73.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.747 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.39 -35.36 75.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.025 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -73.21 -34.56 65.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -69.0 -36.17 77.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.028 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' GLN . . . . . 0.47 ' HB3' ' CE2' ' A' ' 108' ' ' TRP . 11.4 pt20 -73.83 -42.16 61.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.23 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -75.2 -28.31 59.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.229 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -75.76 -40.21 55.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.978 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.418 ' HG ' ' CZ ' ' A' ' 124' ' ' PHE . 0.5 OUTLIER -70.18 -44.31 69.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.947 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -63.64 -56.48 15.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.109 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -60.23 -30.73 69.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 4.0 m -67.95 -43.89 78.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.937 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 95.1 mt -74.48 -35.01 63.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -67.08 -51.79 50.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.995 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 30.3 mt -80.3 -19.21 12.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.39 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.513 179.945 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.563 ' HB3' HG12 ' A' ' 134' ' ' VAL . 47.9 mtm . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.817 0.341 . . . . 0.0 111.177 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -148.58 108.17 3.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.66 ' HB2' HG22 ' A' ' 134' ' ' VAL . . . -88.43 104.41 16.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.181 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 6.5 ptm -82.27 -167.59 1.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 18.6 p90 -117.23 143.43 31.85 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.524 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -84.91 31.94 0.49 Allowed 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.744 2.296 . . . . 0.0 112.992 -179.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.27 19.63 16.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.343 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.442 ' CZ2' HG12 ' A' ' 125' ' ' ILE . 27.7 p-90 -77.1 142.4 39.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.804 0.335 . . . . 0.0 111.007 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -110.48 158.91 34.07 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.766 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -66.89 141.65 59.61 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.534 2.156 . . . . 0.0 112.284 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -162.81 -174.81 4.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.69 -32.2 72.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -59.22 -36.59 75.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.18 -47.91 82.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 28.6 mt -74.43 -30.42 25.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.057 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.33 -52.62 38.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.77 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.837 HD23 ' CZ2' ' A' ' 108' ' ' TRP . 6.0 mp -66.0 -38.02 87.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.94 -43.91 97.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.131 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.4 -30.7 60.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.278 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 19.3 tp -81.37 -31.62 33.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.723 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.837 ' CZ2' HD23 ' A' ' 104' ' ' LEU . 39.6 m0 -73.76 -13.41 60.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.261 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 106.1 27.77 5.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.51 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.535 HG11 HD12 ' A' ' 148' ' ' LEU . 21.2 t -119.93 111.17 31.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.835 0.35 . . . . 0.0 111.115 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -117.59 98.16 6.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.7 mt -93.79 120.64 34.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.779 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.81 -39.11 57.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.45 140.49 22.05 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.826 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.82 144.22 55.95 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.457 2.105 . . . . 0.0 112.29 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 12.7 p -72.86 135.29 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.074 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 38.7 p -80.21 150.66 30.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.3 t -63.61 -30.18 71.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -57.67 -38.38 75.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.003 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -67.88 -43.16 79.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.803 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.86 -48.09 69.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.85 -40.74 98.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.089 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.1 m -65.3 -41.2 94.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.593 ' CZ ' HD12 ' A' ' 144' ' ' LEU . 2.1 t80 -61.47 -52.38 64.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.867 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.442 HG12 ' CZ2' ' A' ' 95' ' ' TRP . 16.8 mt -67.29 -32.0 55.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.027 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.35 -47.39 86.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.066 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -76.05 -31.0 58.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' TRP . . . . . 0.509 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 7.5 t-105 -70.69 -40.73 72.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.812 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.56 -31.42 53.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.872 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.1 -37.49 64.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -73.03 -46.81 49.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.93 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 63.2 29.42 74.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.371 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.36 -159.47 0.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.69 0.281 . . . . 0.0 110.666 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.66 HG22 ' HB2' ' A' ' 90' ' ' ALA . 13.1 t -140.02 141.96 32.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.141 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.509 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 6.8 m-85 -132.83 171.1 14.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.911 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' HIS . . . . . 0.433 ' CE1' ' HA ' ' A' ' 88' ' ' MET . 4.1 m-70 -103.04 175.93 5.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.677 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 137' ' ' HIS . . . . . 0.765 ' CD2' HG23 ' A' ' 138' ' ' VAL . 32.9 p-80 -65.62 -51.73 57.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.766 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.765 HG23 ' CD2' ' A' ' 137' ' ' HIS . 25.7 t -64.71 -34.04 67.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.998 0.428 . . . . 0.0 110.799 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.57 -56.55 18.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.723 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 3.1 t90 -58.59 -33.16 69.67 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.731 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' GLN . . . . . 0.449 ' HG3' ' CD2' ' A' ' 108' ' ' TRP . 42.3 tt0 -66.24 -52.16 50.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.155 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -69.77 -41.1 75.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.439 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.8 -54.37 47.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.222 -179.689 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.593 HD12 ' CZ ' ' A' ' 124' ' ' PHE . 0.2 OUTLIER -61.95 -43.12 99.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.079 -179.898 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -62.95 -41.13 99.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.286 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -75.79 -25.79 56.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.172 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.76 -41.77 67.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.039 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.535 HD12 HG11 ' A' ' 110' ' ' VAL . 70.9 mt -75.92 -39.76 55.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.13 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -69.42 -56.25 7.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 21.1 mt -74.32 -20.46 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.423 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.542 179.928 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 29.2 mtm . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.78 0.324 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -154.72 99.53 2.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.414 ' CA ' HG13 ' A' ' 134' ' ' VAL . . . -76.6 -179.81 5.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.038 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.66 -163.72 1.31 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.735 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.444 ' N ' ' CD1' ' A' ' 92' ' ' TYR . 1.8 p90 -133.9 155.45 80.24 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.39 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -84.47 20.66 1.19 Allowed 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.765 2.31 . . . . 0.0 113.106 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.15 20.81 15.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.506 0.193 . . . . 0.0 111.471 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.41 ' CE3' ' O ' ' A' ' 95' ' ' TRP . 70.3 p-90 -74.82 118.0 17.3 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 120.828 0.347 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -95.59 155.35 38.69 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.56 157.66 6.92 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.575 2.183 . . . . 0.0 112.293 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -167.61 165.26 14.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.959 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.47 -36.01 75.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -62.59 -33.14 74.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -60.29 -55.12 37.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 34.8 mm -66.86 -35.95 76.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.058 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.45 -53.78 49.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.439 HD22 ' CE2' ' A' ' 108' ' ' TRP . 17.3 mt -61.58 -43.02 99.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.976 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.08 -46.01 89.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.51 -35.84 80.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 17.9 tp -81.47 -31.3 33.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.749 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.455 ' CD2' ' HG3' ' A' ' 141' ' ' GLN . 47.1 m0 -72.06 -13.38 61.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.241 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 107.71 47.57 0.96 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.474 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.436 HG11 ' HB3' ' A' ' 148' ' ' LEU . 21.8 t -141.63 115.74 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.87 0.367 . . . . 0.0 111.112 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -105.55 98.28 7.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.01 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.8 mt -89.64 118.81 29.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.041 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.33 -60.7 1.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -90.88 165.51 21.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.918 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -63.95 137.08 55.86 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.548 2.165 . . . . 0.0 112.203 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.436 HG11 HD23 ' A' ' 121' ' ' LEU . 19.5 t -56.96 145.95 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -88.03 152.73 21.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.821 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.0 t -63.93 -36.49 84.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -60.21 -35.44 75.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -73.42 -43.43 60.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.436 HD23 HG11 ' A' ' 116' ' ' VAL . 0.8 OUTLIER -67.1 -50.42 61.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.1 -35.67 81.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.224 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 27.5 t -61.58 -47.44 85.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.959 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.523 ' CZ ' HD12 ' A' ' 144' ' ' LEU . 1.6 t80 -62.92 -44.4 96.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.006 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 24.3 mt -70.13 -29.97 41.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.1 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.94 -50.85 67.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.076 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -70.25 -32.8 70.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' TRP . . . . . 0.46 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 3.9 t-105 -66.4 -47.03 74.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.765 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -76.43 -34.47 58.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.849 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.36 -34.62 78.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.057 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -72.53 -45.29 60.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 59.31 45.74 94.96 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.455 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -127.85 -165.44 1.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.81 0.338 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.414 HG13 ' CA ' ' A' ' 90' ' ' ALA . 11.1 t -124.55 142.03 42.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.088 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.46 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 10.0 m-85 -129.4 170.29 13.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -97.06 162.2 13.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 43.0 p-80 -59.47 -45.08 92.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 21.4 t -60.51 -33.84 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.182 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -67.49 -44.12 79.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -65.63 -30.72 71.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' GLN . . . . . 0.455 ' HG3' ' CD2' ' A' ' 108' ' ' TRP . 11.7 tt0 -69.68 -49.42 53.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.096 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -74.63 -41.02 61.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.241 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 13.5 mmmt -58.92 -54.23 49.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.185 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.523 HD12 ' CZ ' ' A' ' 124' ' ' PHE . 0.1 OUTLIER -69.65 -32.92 71.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.13 -179.813 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 145' ' ' ALA . . . . . 0.417 ' HB2' ' O ' ' A' ' 141' ' ' GLN . . . -66.66 -58.86 4.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.177 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -65.67 -26.25 67.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.049 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 45.6 t -74.55 -35.17 63.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.062 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.436 ' HB3' HG11 ' A' ' 110' ' ' VAL . 11.5 mt -78.08 -51.57 10.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.113 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 149' ' ' GLN . . . . . 0.409 ' HG3' HG13 ' A' ' 150' ' ' ILE . 4.4 pt20 -60.04 -45.13 93.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.0 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.409 HG13 ' HG3' ' A' ' 149' ' ' GLN . 44.7 mt -80.64 -23.64 11.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.212 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.524 179.913 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.734 ' HB3' HG12 ' A' ' 134' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.802 0.334 . . . . 0.0 111.159 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.408 ' C ' HG13 ' A' ' 134' ' ' VAL . 50.6 p90 -159.98 121.25 3.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.751 ' HB2' HG22 ' A' ' 134' ' ' VAL . . . -88.47 109.11 19.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.157 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 18.3 mtp -75.69 -174.3 2.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -110.92 162.99 18.39 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.57 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -85.01 36.65 0.57 Allowed 'Trans proline' 0 N--CA 1.462 -0.367 0 C-N-CA 122.748 2.299 . . . . 0.0 112.792 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.1 -19.32 11.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.357 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.406 ' CE3' ' O ' ' A' ' 95' ' ' TRP . 37.7 p-90 -50.55 133.4 25.21 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.85 0.357 . . . . 0.0 111.417 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -129.04 157.89 74.48 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.764 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.544 ' HD3' HD21 ' A' ' 121' ' ' LEU . 19.4 Cg_endo -58.81 136.74 75.72 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.573 2.182 . . . . 0.0 112.159 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -160.18 -168.68 2.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.43 -35.13 73.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.2 -33.66 74.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.937 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -65.35 -48.57 72.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 32.9 mm -69.85 -37.41 73.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -44.71 93.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.604 HD13 ' CZ2' ' A' ' 108' ' ' TRP . 17.2 mt -70.74 -42.96 69.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.08 -39.25 85.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.064 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.1 -37.36 85.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.061 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 20.1 tp -81.34 -32.14 33.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.682 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.604 ' CZ2' HD13 ' A' ' 104' ' ' LEU . 51.5 m0 -73.54 -13.49 61.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.22 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 90.5 34.62 7.84 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.523 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.5 t -134.33 116.26 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.744 0.306 . . . . 0.0 111.194 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -114.34 131.13 56.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.116 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.5 mt -84.68 128.43 34.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.47 -36.66 13.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.948 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -119.43 165.81 16.33 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.834 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -63.76 146.13 91.65 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.523 2.148 . . . . 0.0 112.179 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 20.7 t -69.39 147.81 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.237 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 73.1 p -106.26 150.97 25.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 34.1 p -72.09 -35.42 69.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.823 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -59.55 -42.15 91.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -64.02 -45.45 88.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.544 HD21 ' HD3' ' A' ' 97' ' ' PRO . 0.9 OUTLIER -65.94 -40.92 91.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.958 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.95 -38.97 83.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.094 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.7 m -68.41 -44.14 75.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -60.1 -48.8 80.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 49.1 mt -69.0 -32.09 53.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.062 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -66.07 -57.54 7.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.068 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -62.3 -35.3 78.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.773 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' TRP . . . . . 0.509 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 4.2 t-105 -63.99 -52.59 58.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.682 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -66.93 -37.24 83.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.29 -35.43 76.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.194 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.06 -41.53 98.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.933 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 61.94 31.52 78.77 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.378 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -110.02 -163.3 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.661 0.267 . . . . 0.0 110.818 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.751 HG22 ' HB2' ' A' ' 90' ' ' ALA . 11.4 t -141.79 142.11 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.114 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.509 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 3.7 m-85 -133.47 154.22 50.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.015 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -78.84 -179.59 6.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.774 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' HIS . . . . . 0.521 ' NE2' HG23 ' A' ' 138' ' ' VAL . 56.3 p-80 -71.27 -44.48 65.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.639 179.725 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.521 HG23 ' NE2' ' A' ' 137' ' ' HIS . 21.6 t -66.16 -34.07 67.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.808 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -69.32 -40.66 77.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.703 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.454 ' CH2' HD13 ' A' ' 144' ' ' LEU . 20.8 t90 -62.71 -43.71 98.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.857 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' GLN . . . . . 0.44 ' HB2' ' CD2' ' A' ' 108' ' ' TRP . 4.4 pt20 -70.43 -34.92 73.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.866 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -74.43 -34.2 63.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.97 -54.15 14.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.454 HD13 ' CH2' ' A' ' 140' ' ' TRP . 0.2 OUTLIER -60.2 -43.43 95.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -60.1 -59.28 5.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -60.11 -29.87 68.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 7.1 m -64.29 -51.46 63.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.838 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 79.9 mt -65.07 -31.68 73.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -64.03 -47.4 80.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.819 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 21.2 mt -76.51 -19.96 14.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.323 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.514 179.943 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 22.8 ptm . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.812 0.339 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -153.58 104.39 2.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.697 ' HB2' HG22 ' A' ' 134' ' ' VAL . . . -75.46 124.85 27.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.079 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -120.64 -163.81 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.83 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 5.9 p90 -111.21 154.48 43.58 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.467 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -84.04 29.21 0.55 Allowed 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.746 2.297 . . . . 0.0 113.013 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -113.4 25.73 11.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.576 0.227 . . . . 0.0 111.423 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.435 ' CZ2' HG12 ' A' ' 125' ' ' ILE . 23.1 p-90 -82.3 137.63 34.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.929 0.395 . . . . 0.0 111.226 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.61 92.19 7.27 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.615 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.87 -171.86 1.26 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.602 2.201 . . . . 0.0 112.624 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -168.98 -70.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.624 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -88.14 -36.2 17.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.809 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.18 -25.99 67.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.027 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.441 ' CE1' HG21 ' A' ' 116' ' ' VAL . 9.6 t80 -64.68 -41.41 96.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.859 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 31.0 mt -76.65 -36.63 27.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.143 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.83 -40.36 69.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.807 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 23.2 mt -68.08 -45.04 74.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.768 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.16 -40.44 95.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.032 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.75 -34.25 69.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 19.5 tp -81.44 -30.68 33.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.794 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.419 ' CZ2' ' HG2' ' A' ' 141' ' ' GLN . 46.9 m0 -74.48 -13.29 60.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.302 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 102.03 35.62 3.91 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.519 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 28.7 t -128.79 126.04 64.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.835 0.35 . . . . 0.0 111.033 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -116.04 95.2 4.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.158 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.4 mt -91.05 134.61 34.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -39.4 77.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.923 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.35 164.13 45.07 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.21 160.73 3.07 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.552 2.168 . . . . 0.0 112.244 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.441 HG21 ' CE1' ' A' ' 101' ' ' PHE . 21.9 t -82.63 147.63 5.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 24.2 p -76.57 151.53 36.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.2 t -68.62 -27.91 66.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -57.17 -47.14 81.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.961 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -63.56 -37.82 88.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.819 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 2.7 mt -67.35 -50.3 60.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.1 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.88 -32.57 70.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.163 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.3 p -70.49 -41.3 72.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.763 ' CZ ' HD12 ' A' ' 144' ' ' LEU . 6.4 t80 -63.54 -38.82 92.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.435 HG12 ' CZ2' ' A' ' 95' ' ' TRP . 23.5 mt -70.27 -38.43 74.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.051 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.91 -45.11 95.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.09 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -77.05 -35.0 57.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' TRP . . . . . 0.493 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 5.6 t-105 -61.29 -47.1 87.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.724 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -73.27 -38.11 66.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.02 -30.88 70.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.135 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -63.23 -49.71 73.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 68.4 43.51 78.06 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.528 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -133.92 -165.93 1.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.889 0.376 . . . . 0.0 110.766 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.697 HG22 ' HB2' ' A' ' 90' ' ' ALA . 20.5 t -127.44 150.41 33.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.177 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.493 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 20.8 m-85 -130.08 153.74 48.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.967 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -87.42 170.02 11.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -60.14 -64.11 1.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 26.7 t -54.53 -35.98 33.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.189 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -63.62 -35.57 80.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.72 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -70.16 -40.01 74.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.926 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' GLN . . . . . 0.419 ' HG2' ' CZ2' ' A' ' 108' ' ' TRP . 31.0 mt-30 -69.36 -36.94 77.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.098 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -74.9 -50.19 17.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.404 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -54.37 47.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.317 -179.6 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.763 HD12 ' CZ ' ' A' ' 124' ' ' PHE . 0.1 OUTLIER -62.52 -48.88 77.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.076 -179.716 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -57.41 -58.55 7.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.205 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 2.2 mmt85 -61.21 -29.51 69.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 31.4 t -66.56 -46.88 74.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 41.2 mt -68.78 -28.02 66.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -72.46 -57.69 3.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.951 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -61.79 -27.92 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.046 0.451 . . . . 0.0 111.199 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.421 179.884 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.488 ' HB3' HG12 ' A' ' 134' ' ' VAL . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.798 0.332 . . . . 0.0 111.183 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -144.06 111.19 5.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.989 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.492 ' N ' HG13 ' A' ' 134' ' ' VAL . . . -85.48 -179.88 7.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.028 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 1.7 tmm? -167.14 177.56 6.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -104.52 150.67 38.77 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.624 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -84.2 35.24 0.54 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.691 2.261 . . . . 0.0 112.912 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.38 13.29 18.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.425 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.446 ' CZ2' HG12 ' A' ' 125' ' ' ILE . 26.5 p-90 -78.54 155.98 29.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.895 0.378 . . . . 0.0 111.239 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -131.82 162.19 57.92 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.61 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.39 136.9 70.94 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.421 2.081 . . . . 0.0 112.213 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -136.29 -175.77 4.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.907 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -75.11 -36.68 61.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.055 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.403 ' O ' HD13 ' A' ' 104' ' ' LEU . 0.4 OUTLIER -69.03 -29.25 67.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -64.53 -57.48 9.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.848 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.0 mt -61.8 -37.62 78.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.984 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -47.11 85.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.923 HD23 ' CZ2' ' A' ' 108' ' ' TRP . 7.3 mp -67.54 -42.32 82.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.05 -33.92 74.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -73.19 -39.06 65.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.132 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 17.2 tp -81.39 -29.96 33.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.805 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.923 ' CZ2' HD23 ' A' ' 104' ' ' LEU . 43.8 m0 -68.16 -13.33 62.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.314 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 97.16 42.9 3.14 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.59 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 17.2 t -116.3 110.71 32.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 0.0 111.084 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -111.03 124.38 52.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.1 mp -121.89 142.43 50.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.71 -31.26 36.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.862 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.32 157.87 75.75 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.23 -179.2 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.544 2.163 . . . . 0.0 112.299 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.817 HG23 ' OE1' ' A' ' 120' ' ' GLU . 9.6 p -94.82 145.99 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.043 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.63 165.94 11.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 15.2 p -60.28 -35.97 76.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -61.67 -31.48 71.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.817 ' OE1' HG23 ' A' ' 116' ' ' VAL . 6.6 tt0 -69.77 -48.98 57.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.811 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.488 ' O ' HD12 ' A' ' 125' ' ' ILE . 1.5 mp -68.99 -41.73 77.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.786 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.0 -39.51 92.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.049 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.3 m -65.31 -49.91 67.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.81 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -60.23 -46.08 91.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.488 HD12 ' O ' ' A' ' 121' ' ' LEU . 10.4 mt -69.51 -32.77 54.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.016 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.53 -54.12 50.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.03 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -67.77 -33.8 75.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' TRP . . . . . 0.506 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 10.6 t-105 -67.67 -39.9 84.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.777 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -75.95 -35.33 59.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.954 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -76.11 -31.43 58.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -66.19 -45.48 80.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 59.51 34.44 81.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.424 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -111.06 -163.85 0.88 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.669 0.271 . . . . 0.0 110.824 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.492 HG13 ' N ' ' A' ' 90' ' ' ALA . 3.9 t -133.82 141.94 42.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.047 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.506 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 9.8 m-85 -129.68 162.58 28.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.966 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' HIS . . . . . 0.419 ' CE1' ' HA ' ' A' ' 88' ' ' MET . 8.9 m-70 -97.84 179.04 4.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.681 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' HIS . . . . . 0.589 ' CE1' HG23 ' A' ' 138' ' ' VAL . 33.1 p-80 -68.34 -47.46 67.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.743 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.589 HG23 ' CE1' ' A' ' 137' ' ' HIS . 39.6 t -69.28 -36.97 74.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.946 0.403 . . . . 0.0 110.771 179.505 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -69.12 -36.89 77.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.961 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 15.8 t90 -66.68 -45.02 80.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' GLN . . . . . 0.458 ' HB3' ' CZ2' ' A' ' 108' ' ' TRP . 3.8 pt20 -70.52 -30.04 66.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.043 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -78.41 -48.19 15.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.229 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -41.03 96.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.118 -179.71 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.9 tt -69.83 -48.12 60.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -60.74 -56.89 15.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.196 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -60.74 -30.0 69.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.05 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.3 m -66.77 -52.71 41.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.061 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 29.8 mt -64.76 -29.1 70.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.996 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -67.93 -50.59 55.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.03 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 27.0 pt -69.95 -32.37 51.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.095 0.474 . . . . 0.0 111.236 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.451 -179.98 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.551 ' HB3' HG12 ' A' ' 134' ' ' VAL . 2.5 mmt . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.787 0.327 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -150.92 106.31 3.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.99 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.494 ' N ' HG13 ' A' ' 134' ' ' VAL . . . -83.67 110.48 18.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.042 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.44 -165.04 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -123.11 158.52 57.59 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.269 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -84.68 23.27 0.85 Allowed 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.641 2.227 . . . . 0.0 113.113 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.21 11.86 18.85 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.62 0.23 . . . . 0.0 111.62 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 67.7 p-90 -71.42 131.46 43.39 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 120.896 0.379 . . . . 0.0 111.064 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -110.41 151.02 42.42 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.97 160.74 48.42 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.542 2.161 . . . . 0.0 112.299 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -176.51 -169.81 0.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.913 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.1 -31.89 70.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -59.67 -31.11 69.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.94 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -64.06 -41.2 97.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 17.1 mt -73.68 -34.67 41.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.014 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.77 -41.85 82.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.598 HD13 ' CZ2' ' A' ' 108' ' ' TRP . 16.2 mt -72.3 -43.8 63.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.93 90.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -73.73 -31.25 63.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.148 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 20.2 tp -81.51 -30.64 33.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.793 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.598 ' CZ2' HD13 ' A' ' 104' ' ' LEU . 46.2 m0 -74.22 -13.29 60.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.336 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 108.61 37.53 2.05 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.416 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.701 HG12 HD12 ' A' ' 112' ' ' LEU . 21.3 t -139.98 111.08 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.785 0.326 . . . . 0.0 111.106 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -112.59 110.2 20.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.701 HD12 HG12 ' A' ' 110' ' ' VAL . 1.7 mp -113.59 159.94 19.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.823 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.45 -45.22 9.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -108.02 155.32 40.25 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.69 179.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.565 2.177 . . . . 0.0 112.377 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.538 HG11 HD21 ' A' ' 121' ' ' LEU . 12.5 p -77.83 152.17 5.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.176 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.413 ' O ' HD23 ' A' ' 121' ' ' LEU . 59.3 p -83.82 149.43 26.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.857 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.2 t -68.86 -30.81 69.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -59.19 -48.16 82.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.78 -30.59 69.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.538 HD21 HG11 ' A' ' 116' ' ' VAL . 1.8 mm? -62.4 -57.93 9.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.799 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.83 -39.91 95.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.4 t -59.74 -44.6 93.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.505 ' CZ ' HD12 ' A' ' 144' ' ' LEU . 0.9 OUTLIER -61.45 -48.41 81.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.999 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 53.9 mt -65.75 -32.26 57.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.0 -44.38 96.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.125 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -75.46 -32.15 60.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' TRP . . . . . 0.487 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 12.8 t-105 -69.44 -40.57 77.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -75.0 -36.64 61.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -76.84 -31.51 56.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.012 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -63.73 -45.46 89.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 59.45 35.32 84.81 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.516 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.46 -164.57 1.04 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.81 0.338 . . . . 0.0 110.785 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.551 HG12 ' HB3' ' A' ' 88' ' ' MET . 4.1 t -132.81 141.96 43.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.974 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.487 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 8.0 m-85 -130.27 149.84 51.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -82.99 -179.13 7.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.723 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' HIS . . . . . 0.509 ' NE2' HG23 ' A' ' 138' ' ' VAL . 57.3 p-80 -70.52 -40.94 73.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.728 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.509 HG23 ' NE2' ' A' ' 137' ' ' HIS . 21.4 t -70.3 -35.04 60.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.041 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -70.56 -36.43 73.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -67.8 -46.4 72.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.78 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' GLN . . . . . 0.442 ' HB2' ' CG ' ' A' ' 108' ' ' TRP . 3.9 pt20 -65.51 -41.59 93.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -66.7 -42.22 86.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.53 -49.99 73.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.505 HD12 ' CZ ' ' A' ' 124' ' ' PHE . 0.1 OUTLIER -66.18 -35.93 81.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 145' ' ' ALA . . . . . 0.423 ' HA ' HG21 ' A' ' 110' ' ' VAL . . . -69.12 -48.73 61.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.189 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.1 -30.38 71.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.001 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 20.5 m -72.58 -44.43 62.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.046 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.442 HD12 ' O ' ' A' ' 144' ' ' LEU . 5.4 mt -74.76 -38.06 62.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.96 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.83 -54.83 7.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.961 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 26.7 mt -73.11 -19.58 18.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.346 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.393 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.486 -179.964 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.689 ' HB3' HG12 ' A' ' 134' ' ' VAL . 2.2 mtt . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.763 0.316 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -132.89 107.0 8.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.007 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.546 ' N ' HG13 ' A' ' 134' ' ' VAL . . . -87.41 110.56 20.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.193 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 22.7 ptp -101.65 -168.12 1.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.769 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.421 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 10.4 p90 -116.53 150.59 45.81 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.664 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 92' ' ' TYR . 3.5 Cg_endo -85.36 35.93 0.53 Allowed 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 122.877 2.384 . . . . 0.0 112.646 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -113.17 20.32 16.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.194 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.451 ' CZ2' HG12 ' A' ' 125' ' ' ILE . 26.0 p-90 -84.72 148.75 26.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.815 0.341 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -116.39 142.4 29.4 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.55 152.89 15.2 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.464 2.11 . . . . 0.0 112.246 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -164.6 -174.45 3.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.77 -37.24 81.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.166 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.57 -32.89 70.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.957 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -60.22 -53.62 55.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 10.8 mt -70.93 -34.83 57.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.054 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.39 -48.84 73.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.8 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.602 HD22 ' CE2' ' A' ' 108' ' ' TRP . 12.4 mt -66.45 -43.01 86.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.34 -44.6 95.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.04 -36.52 83.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.039 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 20.1 tp -81.46 -31.64 32.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.733 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.602 ' CE2' HD22 ' A' ' 104' ' ' LEU . 47.2 m0 -69.67 -13.5 62.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.278 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 109.25 28.55 4.33 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.433 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.4 t -129.3 110.69 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.731 0.3 . . . . 0.0 111.114 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -114.57 106.71 14.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.3 mt -115.18 114.76 25.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.944 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.23 -44.17 89.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.84 144.94 56.53 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.6 -177.68 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.516 2.144 . . . . 0.0 112.258 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 12.6 p -90.76 134.33 29.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 7.3 p -78.39 148.35 33.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.3 t -72.21 -34.14 68.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -66.42 -36.97 84.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -69.13 -44.21 72.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 6.4 mt -64.44 -51.04 65.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.947 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.52 -35.85 76.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 23.3 t -65.9 -41.14 91.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.43 ' CZ ' ' HG ' ' A' ' 144' ' ' LEU . 6.7 t80 -65.13 -53.29 47.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.451 HG12 ' CZ2' ' A' ' 95' ' ' TRP . 6.1 mt -60.39 -37.37 74.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.055 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.29 -55.73 31.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.086 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -65.23 -29.78 70.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' TRP . . . . . 0.501 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 8.4 t-105 -72.53 -41.18 66.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -74.81 -34.91 62.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.924 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -78.35 -30.92 48.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -67.7 -45.95 73.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.977 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 61.86 33.45 85.44 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.37 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.68 -161.9 0.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.763 0.316 . . . . 0.0 110.757 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.689 HG12 ' HB3' ' A' ' 88' ' ' MET . 3.7 t -142.09 141.96 28.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.945 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.501 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 5.2 m-85 -135.03 159.3 41.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.92 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' HIS . . . . . 0.429 ' CE1' ' HA ' ' A' ' 88' ' ' MET . 3.9 m-70 -95.44 174.83 6.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.739 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 137' ' ' HIS . . . . . 0.55 ' NE2' HG23 ' A' ' 138' ' ' VAL . 35.8 p-80 -61.17 -47.7 84.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.628 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.55 HG23 ' NE2' ' A' ' 137' ' ' HIS . 31.7 t -71.83 -33.82 49.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.617 179.387 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.74 -33.58 72.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.65 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -71.13 -49.66 41.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 141' ' ' GLN . . . . . 0.448 ' HB2' ' CD2' ' A' ' 108' ' ' TRP . 6.5 pt20 -66.67 -36.13 81.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.915 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 142' ' ' GLN . . . . . 0.456 ' OE1' HG12 ' A' ' 138' ' ' VAL . 82.9 mt-30 -75.77 -47.56 25.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.027 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 23.0 tttt -60.85 -49.79 76.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.961 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.43 ' HG ' ' CZ ' ' A' ' 124' ' ' PHE . 1.7 tt -61.53 -52.43 64.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -59.11 -49.61 77.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.107 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -65.9 -29.31 69.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.015 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 11.4 m -72.19 -41.92 66.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 79.0 mt -72.55 -34.54 67.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -74.27 -53.48 9.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 38.0 mt -73.98 -18.81 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.388 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.506 -179.944 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.781 0.324 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -147.13 114.05 6.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.939 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.465 ' N ' HG13 ' A' ' 134' ' ' VAL . . . -69.58 -179.93 1.89 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.019 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 11.3 mtm -151.17 -174.52 4.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.788 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 14.2 p90 -109.18 146.31 33.62 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.551 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -83.3 33.01 0.51 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.674 2.249 . . . . 0.0 112.934 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.4 -16.9 12.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.274 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 42.1 p-90 -49.24 146.64 3.57 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.868 0.365 . . . . 0.0 111.458 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.79 165.33 37.37 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.766 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.528 ' HD3' HD21 ' A' ' 121' ' ' LEU . 37.4 Cg_endo -66.05 148.64 85.76 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.485 2.123 . . . . 0.0 112.258 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.38 -168.88 2.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.92 -46.69 80.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.056 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -59.3 -31.26 68.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -61.27 -48.93 79.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 29.8 mm -72.53 -31.21 36.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.51 -52.35 40.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.457 HD22 ' CZ2' ' A' ' 108' ' ' TRP . 21.1 mt -61.76 -45.04 95.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.53 -46.81 87.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.163 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.27 -34.52 77.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 17.5 tp -81.42 -31.89 32.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.723 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.457 ' CZ2' HD22 ' A' ' 104' ' ' LEU . 45.5 m0 -70.53 -13.34 62.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.322 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 107.98 32.17 3.38 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.516 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.5 t -119.83 110.74 30.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 111.122 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -101.76 107.65 18.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.059 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -117.5 121.61 41.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 11.1 mtt85 -85.75 -58.72 2.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -74.78 150.74 86.48 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.04 179.24 0.04 OUTLIER 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.605 2.204 . . . . 0.0 112.306 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 10.8 p -89.95 153.05 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.084 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 18.3 p -106.7 149.75 26.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.9 t -71.47 -32.01 67.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.94 -38.94 93.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -63.91 -46.69 83.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.528 HD21 ' HD3' ' A' ' 97' ' ' PRO . 1.7 mp -63.79 -49.4 73.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -58.75 -30.04 67.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.16 -45.32 60.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.962 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.718 ' CZ ' HD12 ' A' ' 144' ' ' LEU . 7.9 t80 -66.95 -47.34 71.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.983 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 54.6 mt -65.53 -32.62 59.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.975 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.09 -50.05 67.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.018 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.44 ' CD2' ' HG3' ' A' ' 131' ' ' GLU . 34.9 t80 -72.83 -31.23 64.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.828 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' TRP . . . . . 0.501 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 4.6 t-105 -62.47 -47.73 82.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.714 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -73.97 -43.18 59.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.53 -30.66 71.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.44 ' HG3' ' CD2' ' A' ' 127' ' ' TYR . 0.2 OUTLIER -63.18 -44.27 95.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 65.25 32.61 84.34 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.462 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -120.68 -166.02 1.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.84 0.352 . . . . 0.0 110.776 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.465 HG13 ' N ' ' A' ' 90' ' ' ALA . 12.6 t -139.04 145.36 27.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.106 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.501 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 4.5 m-85 -130.55 149.39 52.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -77.43 177.94 7.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.813 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 20.9 m170 -61.77 -60.43 3.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.973 0.416 . . . . 0.0 110.823 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 31.9 t -57.39 -34.47 46.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.931 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -64.56 -32.16 73.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.73 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -74.08 -40.81 62.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.79 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' GLN . . . . . 0.407 ' HG2' ' CZ2' ' A' ' 108' ' ' TRP . 28.1 mt-30 -62.1 -46.41 89.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.95 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.81 -36.09 64.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.02 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -62.72 -53.88 47.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.98 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.718 HD12 ' CZ ' ' A' ' 124' ' ' PHE . 0.1 OUTLIER -67.04 -46.52 74.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.997 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -59.45 -57.97 10.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.193 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 16.5 ttt180 -58.46 -31.5 67.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -64.87 -52.66 55.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.92 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 15.6 mt -69.1 -28.07 66.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.95 -57.82 11.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 31.9 pt -72.58 -32.82 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.068 0.461 . . . . 0.0 111.255 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.549 -179.962 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.726 ' HB3' HG12 ' A' ' 134' ' ' VAL . 3.5 mpp? . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.823 0.344 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -137.04 108.61 6.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.498 ' N ' HG13 ' A' ' 134' ' ' VAL . . . -75.06 109.17 8.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.211 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 24.7 ptm -99.44 -168.63 1.64 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.808 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.43 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 14.0 p90 -118.16 144.16 34.35 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.617 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 92' ' ' TYR . 1.7 Cg_endo -82.51 35.03 0.56 Allowed 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.886 2.391 . . . . 0.0 112.752 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.11 19.74 16.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.644 0.259 . . . . 0.0 111.14 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.433 ' CZ2' HG12 ' A' ' 125' ' ' ILE . 17.1 p-90 -78.89 146.97 33.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.038 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -107.65 148.53 37.47 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.05 148.64 57.16 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.562 2.174 . . . . 0.0 112.274 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -159.16 -175.93 5.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.82 -30.4 68.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.099 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -59.63 -30.82 68.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.63 -58.73 7.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 6.8 mt -66.41 -33.31 62.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.036 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -54.4 42.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.757 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.761 HD13 ' CZ2' ' A' ' 108' ' ' TRP . 14.6 mt -64.39 -43.09 95.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.843 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.36 -35.69 74.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.011 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.69 93.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 18.6 tp -81.45 -29.25 33.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.721 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.761 ' CZ2' HD13 ' A' ' 104' ' ' LEU . 40.7 m0 -68.22 -13.52 62.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.259 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 108.91 40.87 1.5 Allowed Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.508 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.4 t -150.71 110.66 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.857 0.36 . . . . 0.0 111.08 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -97.25 111.13 23.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.3 mt -112.06 108.57 17.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -87.69 -38.5 15.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -97.2 158.45 33.25 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.979 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.68 151.54 19.03 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.515 2.143 . . . . 0.0 112.289 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 10.9 p -79.83 140.89 16.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.31 147.63 53.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 60.8 m -72.41 -39.96 67.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.043 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -57.12 -34.98 68.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.416 ' OE2' HD13 ' A' ' 148' ' ' LEU . 0.0 OUTLIER -66.76 -51.98 49.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 6.7 mp -60.52 -50.19 74.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.39 -38.38 80.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.08 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.1 m -69.66 -31.42 69.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.425 ' CZ ' HD12 ' A' ' 144' ' ' LEU . 0.3 OUTLIER -66.26 -58.29 5.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.433 HG12 ' CZ2' ' A' ' 95' ' ' TRP . 10.5 mt -64.35 -29.9 48.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.056 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.28 -48.71 72.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -72.6 -31.46 65.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 6.4 t-105 -67.83 -48.81 65.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.769 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.95 -31.5 64.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -78.15 -30.64 49.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -72.17 -44.91 62.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 60.82 36.57 92.16 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.45 -163.69 0.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.75 0.31 . . . . 0.0 110.726 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.726 HG12 ' HB3' ' A' ' 88' ' ' MET . 3.4 t -133.72 142.04 42.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -135.02 151.0 50.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.035 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' HIS . . . . . 0.443 ' CE1' ' N ' ' A' ' 88' ' ' MET . 0.1 OUTLIER -87.29 -171.75 3.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.74 179.759 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -71.3 -51.06 26.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.781 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 27.7 t -62.76 -38.13 80.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.132 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -65.77 -31.96 73.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.721 ' CZ3' HD13 ' A' ' 144' ' ' LEU . 0.8 OUTLIER -72.63 -39.55 67.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.997 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 141' ' ' GLN . . . . . 0.448 ' HG2' ' CE2' ' A' ' 108' ' ' TRP . 34.2 mt-30 -63.14 -49.68 73.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.07 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -66.97 -34.44 77.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.25 -54.22 40.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.982 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.721 HD13 ' CZ3' ' A' ' 140' ' ' TRP . 0.1 OUTLIER -62.37 -34.72 77.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.1 -179.906 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -71.67 -59.96 2.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.245 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 146' ' ' ARG . . . . . 0.475 HH21 HG23 ' A' ' 150' ' ' ILE . 0.7 OUTLIER -58.97 -29.89 67.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.036 -179.901 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 32.7 t -69.97 -48.46 58.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.008 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.555 HD23 ' O ' ' A' ' 144' ' ' LEU . 4.1 mm? -67.02 -29.61 69.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.985 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -71.84 -57.85 3.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.958 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.475 HG23 HH21 ' A' ' 146' ' ' ARG . 1.7 pp -60.8 -28.36 43.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.355 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.532 -179.918 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.692 ' HB3' HG12 ' A' ' 134' ' ' VAL . 1.9 mtp . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.835 0.35 . . . . 0.0 111.133 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.405 ' H ' HG12 ' A' ' 134' ' ' VAL . 1.5 m-85 -157.46 112.84 2.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.542 ' N ' HG13 ' A' ' 134' ' ' VAL . . . -94.55 -179.91 5.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.946 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -167.84 -161.94 0.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.41 ' HB2' ' HD2' ' A' ' 93' ' ' PRO . 0.2 OUTLIER -132.58 163.02 53.67 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.23 179.885 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.41 ' HD2' ' HB2' ' A' ' 92' ' ' TYR . 91.0 Cg_endo -81.65 21.95 0.88 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.559 2.173 . . . . 0.0 113.118 -179.708 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -113.21 19.49 17.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.562 0.22 . . . . 0.0 111.326 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 68.9 p-90 -74.53 143.07 44.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.842 0.353 . . . . 0.0 110.999 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -104.96 142.19 24.12 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.67 158.87 52.46 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.588 2.192 . . . . 0.0 112.256 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -162.73 -178.79 6.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.36 -27.68 62.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.247 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.14 -30.18 61.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.983 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -61.97 -58.49 7.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.5 mt -67.33 -36.76 77.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.199 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.73 -45.98 92.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.832 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.798 HD23 ' CZ2' ' A' ' 108' ' ' TRP . 6.2 mp -73.45 -42.84 61.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.4 -38.95 91.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.17 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -67.41 -36.26 80.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 16.1 tp -81.53 -31.28 32.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.838 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.798 ' CZ2' HD23 ' A' ' 104' ' ' LEU . 54.1 m0 -73.06 -13.51 61.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.33 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 106.71 41.15 1.76 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.537 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 18.3 t -142.07 110.67 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.356 . . . . 0.0 111.072 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -91.16 108.33 19.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.9 mt -102.32 121.34 42.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.832 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -108.81 -38.94 5.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -106.06 140.53 21.34 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.86 153.64 19.34 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.389 2.059 . . . . 0.0 112.206 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.63 HG11 HD13 ' A' ' 121' ' ' LEU . 12.4 p -80.32 139.07 18.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.024 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 43.8 p -65.4 154.78 37.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.5 -39.1 81.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.949 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -60.07 -35.25 74.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.82 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -72.73 -46.12 55.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.63 HD13 HG11 ' A' ' 116' ' ' VAL . 3.8 tp -66.36 -43.53 85.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.48 -39.78 95.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.9 t -67.3 -34.97 78.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -69.54 -45.1 69.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.978 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 17.3 mt -67.03 -44.06 88.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.02 -48.21 80.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.21 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -66.81 -30.8 71.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' TRP . . . . . 0.466 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 1.6 t-105 -67.94 -50.98 52.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.768 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -73.85 -31.49 63.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.22 -31.06 67.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.101 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.72 -38.68 77.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 59.02 40.86 96.04 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.453 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -118.37 -167.72 1.41 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.879 0.371 . . . . 0.0 110.711 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.692 HG12 ' HB3' ' A' ' 88' ' ' MET . 3.5 t -144.28 142.09 24.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.466 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 0.2 OUTLIER -139.89 161.33 37.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.808 -179.907 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 136' ' ' HIS . . . . . 0.441 ' CD2' ' HG3' ' A' ' 88' ' ' MET . 28.3 m-70 -79.7 -178.02 6.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.767 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 56.6 p-80 -70.98 -39.24 72.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.73 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 28.3 t -66.82 -35.79 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.929 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.51 -38.75 77.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.799 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.717 ' CH2' HD13 ' A' ' 144' ' ' LEU . 22.2 t90 -63.61 -44.55 93.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.689 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 141' ' ' GLN . . . . . 0.47 ' HB3' ' CZ2' ' A' ' 108' ' ' TRP . 3.9 pt20 -68.22 -42.7 79.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.996 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -66.38 -51.75 53.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.028 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.84 -54.14 49.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.267 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.717 HD13 ' CH2' ' A' ' 140' ' ' TRP . 0.2 OUTLIER -59.61 -49.65 76.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.137 -179.834 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -58.59 -60.05 4.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.286 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 146' ' ' ARG . . . . . 0.414 ' O ' HG12 ' A' ' 150' ' ' ILE . 5.6 mtm-85 -57.71 -31.75 66.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.719 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.3 m -59.36 -51.05 71.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.751 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 12.1 mt -63.27 -35.14 79.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.481 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.85 -57.85 6.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.835 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.414 HG12 ' O ' ' A' ' 146' ' ' ARG . 17.9 mm -69.39 -20.7 24.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.329 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.406 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.547 -179.952 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.506 ' HB3' HG12 ' A' ' 134' ' ' VAL . 36.3 mtm . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 120.784 0.326 . . . . 0.0 111.261 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -159.39 102.14 1.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.459 ' HB2' HG13 ' A' ' 134' ' ' VAL . . . -81.07 -179.93 7.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.075 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 4.2 ptp -163.68 -157.27 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.705 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.45 ' O ' ' HD1' ' A' ' 95' ' ' TRP . 4.1 p90 -118.01 156.76 49.91 Favored Pre-proline 0 C--N 1.331 -0.237 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 179.599 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -79.75 18.18 1.17 Allowed 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.545 2.163 . . . . 0.0 113.361 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -113.18 22.77 13.98 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.551 0.204 . . . . 0.0 111.551 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.45 ' HD1' ' O ' ' A' ' 92' ' ' TYR . 66.7 p-90 -74.65 116.74 15.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.853 0.358 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -136.62 92.16 15.22 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -82.91 173.39 10.25 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.792 2.328 . . . . 0.0 112.501 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -131.29 -79.8 0.52 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.712 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -88.21 -34.06 17.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.095 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -59.18 -35.43 73.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.981 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -59.94 -57.13 14.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 33.8 mm -65.23 -30.42 50.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.021 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -49.38 62.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 14.0 mt -67.65 -43.15 80.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.57 87.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.042 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.13 -42.23 99.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 20.7 tp -81.45 -28.82 34.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.725 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.442 ' CD2' ' HB2' ' A' ' 141' ' ' GLN . 28.3 m0 -68.1 -13.36 62.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.373 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 108.97 38.16 1.9 Allowed Glycine 0 C--N 1.332 0.326 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.559 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.536 HG12 ' HG ' ' A' ' 112' ' ' LEU . 21.9 t -140.89 110.68 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.817 0.341 . . . . 0.0 111.079 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -91.5 99.63 12.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.088 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.536 ' HG ' HG12 ' A' ' 110' ' ' VAL . 66.5 mt -120.68 148.02 44.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -118.89 -45.44 2.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -84.7 148.92 52.84 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.58 172.65 0.16 Allowed 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.609 2.206 . . . . 0.0 112.306 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.503 HG11 HD21 ' A' ' 121' ' ' LEU . 11.6 p -91.52 131.99 37.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 37.1 p -65.31 154.48 38.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.6 t -67.01 -30.51 70.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.949 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -58.23 -35.02 71.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.928 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -74.14 -48.29 30.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.503 HD21 HG11 ' A' ' 116' ' ' VAL . 3.7 mm? -64.36 -40.18 95.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.51 ' O ' ' HB2' ' A' ' 126' ' ' ALA . . . -69.71 -38.56 76.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.8 m -68.89 -47.2 66.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -61.24 -53.76 52.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 39.7 mt -64.3 -30.7 50.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.987 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' A' ' 122' ' ' ALA . . . -62.8 -56.13 20.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.034 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -67.88 -31.44 71.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.779 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' TRP . . . . . 0.461 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 8.7 t-105 -63.66 -47.59 80.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.718 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -30.92 61.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.83 -33.11 62.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -67.44 -47.44 70.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 66.77 39.47 93.59 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.498 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.54 -164.91 1.31 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.761 0.315 . . . . 0.0 110.755 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.506 HG12 ' HB3' ' A' ' 88' ' ' MET . 12.2 t -131.71 142.08 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.142 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.461 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 8.0 m-85 -129.38 150.56 50.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' HIS . . . . . 0.412 ' CG ' ' HA ' ' A' ' 88' ' ' MET . 0.3 OUTLIER -79.1 164.91 23.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.896 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -65.12 -39.9 93.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 21.8 t -67.82 -43.25 86.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.079 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -62.19 -37.4 85.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.464 ' CZ3' HD13 ' A' ' 144' ' ' LEU . 5.3 t90 -64.96 -50.6 65.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.943 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' GLN . . . . . 0.442 ' HB2' ' CD2' ' A' ' 108' ' ' TRP . 15.8 pt20 -66.67 -34.73 78.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.005 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -73.23 -36.58 66.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -75.41 -50.18 16.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.07 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.464 HD13 ' CZ3' ' A' ' 140' ' ' TRP . 0.2 OUTLIER -59.02 -54.24 49.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.04 -179.892 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 145' ' ' ALA . . . . . 0.481 ' HA ' HG21 ' A' ' 110' ' ' VAL . . . -60.43 -54.32 47.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.213 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -58.96 -31.92 69.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.033 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 45.5 t -67.03 -51.74 51.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.93 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 6.9 mt -60.73 -30.72 70.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.926 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -67.43 -54.21 22.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 30.2 mm -69.24 -19.9 23.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.361 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.56 179.998 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.687 ' HB3' HG12 ' A' ' 134' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.702 0.287 . . . . 0.0 111.183 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -165.64 101.88 0.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.056 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.831 ' HB2' HG13 ' A' ' 134' ' ' VAL . . . -104.26 -179.9 4.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 16.3 ptp -167.58 -165.43 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.712 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -104.8 160.54 25.65 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.518 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -85.69 35.79 0.51 Allowed 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.72 2.28 . . . . 0.0 112.994 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.32 22.26 14.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.563 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.451 ' CZ2' HG12 ' A' ' 125' ' ' ILE . 14.8 p-90 -85.87 135.5 33.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.899 0.38 . . . . 0.0 110.93 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.71 108.74 62.42 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.909 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.81 ' CG ' HD21 ' A' ' 121' ' ' LEU . 98.8 Cg_endo -79.8 155.26 23.6 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.452 2.101 . . . . 0.0 112.324 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -172.76 -76.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.826 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -88.11 -50.2 6.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.055 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -61.14 -28.73 69.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.035 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -63.21 -52.03 63.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.955 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.9 mt -73.8 -30.12 27.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.157 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.82 -45.19 62.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.59 HD13 ' CZ2' ' A' ' 108' ' ' TRP . 15.9 mt -71.79 -44.66 63.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.922 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.31 -42.73 96.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.275 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.55 -37.91 89.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.222 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 19.1 tp -81.44 -28.11 34.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.782 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.59 ' CZ2' HD13 ' A' ' 104' ' ' LEU . 46.2 m0 -75.87 -13.36 60.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.34 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 110.5 37.17 1.8 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.67 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.8 t -143.34 110.64 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.869 0.366 . . . . 0.0 111.051 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -90.92 119.3 31.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.232 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.5 mt -123.42 108.64 12.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.785 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.55 -47.04 7.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.833 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.56 166.58 41.71 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.43 155.69 68.89 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.548 2.165 . . . . 0.0 112.264 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 21.4 t -88.79 148.72 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.9 p -89.56 151.71 21.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.843 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.1 m -72.11 -30.71 65.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.984 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -59.41 -37.0 76.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -72.22 -40.6 67.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.931 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.81 HD21 ' CG ' ' A' ' 97' ' ' PRO . 1.8 tp -68.68 -53.5 21.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.18 -37.67 77.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 93.7 p -61.53 -49.86 75.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -61.98 -44.84 95.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.451 HG12 ' CZ2' ' A' ' 95' ' ' TRP . 15.6 mt -62.6 -45.92 97.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.169 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.9 -44.37 97.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.092 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.44 -35.99 78.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.846 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' TRP . . . . . 0.515 ' CZ3' ' CZ ' ' A' ' 135' ' ' PHE . 1.8 t-105 -62.48 -40.86 98.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.742 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -70.4 -40.17 74.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.001 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -73.7 -19.32 60.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.465 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -59.2 -49.67 76.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.97 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 60.98 40.79 98.96 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.648 -0.786 . . . . 0.0 112.451 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 5.0 tttm -150.34 142.89 24.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.724 0.297 . . . . 0.0 110.758 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.831 HG13 ' HB2' ' A' ' 90' ' ' ALA . 20.3 t -103.61 141.74 18.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.29 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.515 ' CZ ' ' CZ3' ' A' ' 128' ' ' TRP . 0.1 OUTLIER -143.13 162.3 35.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.703 179.708 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -63.67 178.78 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.917 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -71.35 -38.84 71.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.931 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 26.2 t -58.2 -34.26 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -66.45 -43.86 84.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.452 ' CH2' ' CD1' ' A' ' 144' ' ' LEU . 1.1 t90 -66.12 -29.36 69.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.875 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 141' ' ' GLN . . . . . 0.447 ' HG3' ' CG ' ' A' ' 108' ' ' TRP . 12.5 tt0 -71.3 -53.92 12.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.971 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -63.89 -37.47 87.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.061 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -65.23 -54.23 32.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.044 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.452 ' CD1' ' CH2' ' A' ' 140' ' ' TRP . 0.8 OUTLIER -62.73 -39.57 94.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.052 -179.878 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -68.94 -49.77 55.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.156 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -63.34 -30.85 71.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.004 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 56.1 p -71.44 -40.18 70.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.002 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 94.8 mt -77.14 -43.52 33.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.998 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -63.27 -51.98 63.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.995 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 18.0 mt -79.72 -19.55 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.466 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.553 -179.86 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.428 ' HB3' HG12 ' A' ' 134' ' ' VAL . 4.0 mtt . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.827 0.346 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -156.49 98.15 1.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.443 ' HB2' HG13 ' A' ' 134' ' ' VAL . . . -78.9 -179.8 6.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.017 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 6.8 mtm -162.73 -170.9 2.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.922 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -123.24 163.17 35.52 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.261 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -85.38 22.04 1.0 Allowed 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.664 2.243 . . . . 0.0 113.128 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.25 27.27 9.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.597 0.237 . . . . 0.0 111.432 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.403 ' CE3' ' HD3' ' A' ' 97' ' ' PRO . 44.9 p-90 -76.42 124.49 27.63 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.871 0.367 . . . . 0.0 110.795 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -97.33 105.21 23.71 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.403 ' HD3' ' CE3' ' A' ' 95' ' ' TRP . 62.4 Cg_endo -72.86 144.97 39.71 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.453 2.102 . . . . 0.0 112.385 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -178.12 -77.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.886 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -88.15 -50.84 6.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.889 0.376 . . . . 0.0 111.272 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.84 -31.15 62.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.198 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.623 ' CE1' HD11 ' A' ' 112' ' ' LEU . 1.6 t80 -62.47 -46.92 86.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.042 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 38.9 mt -74.56 -39.74 47.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -53.71 50.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.693 HD22 ' CZ2' ' A' ' 108' ' ' TRP . 19.9 mt -65.72 -45.06 84.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.97 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.43 ' HB1' ' HB ' ' A' ' 110' ' ' VAL . . . -60.85 -43.85 97.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.08 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.04 -36.01 76.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 17.5 tp -81.35 -35.02 31.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.778 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.693 ' CZ2' HD22 ' A' ' 104' ' ' LEU . 54.9 m0 -73.99 -13.44 60.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.401 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 92.23 39.59 5.36 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.456 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.43 ' HB ' ' HB1' ' A' ' 105' ' ' ALA . 25.5 t -127.7 120.8 55.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.34 . . . . 0.0 111.054 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -108.71 105.74 15.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.623 HD11 ' CE1' ' A' ' 101' ' ' PHE . 1.7 mt -88.92 141.49 28.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.77 -48.49 2.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -108.02 165.49 12.65 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.793 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -68.22 152.7 75.81 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.59 2.193 . . . . 0.0 112.239 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.629 HG23 ' OE1' ' A' ' 120' ' ' GLU . 11.0 p -73.81 135.57 27.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.038 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 70.1 p -67.1 151.43 47.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 19.1 p -62.47 -37.86 87.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.01 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -60.42 -40.81 92.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.629 ' OE1' HG23 ' A' ' 116' ' ' VAL . 0.3 OUTLIER -64.48 -48.6 74.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.9 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 121' ' ' LEU . 2.2 tp -68.48 -48.84 63.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.37 -31.8 69.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.254 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.6 m -74.93 -41.94 58.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.909 ' CZ ' HD12 ' A' ' 144' ' ' LEU . 1.1 t80 -66.84 -47.86 70.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.816 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 52.7 mt -66.88 -40.72 86.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.057 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.08 -55.46 34.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.197 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -66.4 -31.1 71.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.896 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' TRP . . . . . 0.498 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 5.2 t-105 -72.19 -31.95 66.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.915 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.54 -39.65 45.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -75.32 -30.55 60.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.1 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.06 -49.94 75.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 56.82 36.95 74.93 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.555 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -113.74 -164.42 0.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.725 0.298 . . . . 0.0 110.835 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.443 HG13 ' HB2' ' A' ' 90' ' ' ALA . 10.9 t -139.93 142.05 32.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.027 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.498 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 0.8 OUTLIER -137.13 171.16 14.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.785 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 136' ' ' HIS . . . . . 0.409 ' CD2' ' HA ' ' A' ' 88' ' ' MET . 3.9 m-70 -92.29 177.87 6.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.774 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 48.9 p-80 -69.18 -34.22 74.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.932 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.3 -41.52 83.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -67.8 -32.5 73.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.031 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.427 ' CZ3' HD22 ' A' ' 144' ' ' LEU . 9.2 t90 -69.97 -42.37 73.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 141' ' ' GLN . . . . . 0.447 ' HB3' ' CZ2' ' A' ' 108' ' ' TRP . 8.6 pt20 -73.68 -35.44 65.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.065 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -71.6 -39.47 70.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.162 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -70.37 -54.31 13.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.149 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.909 HD12 ' CZ ' ' A' ' 124' ' ' PHE . 0.2 OUTLIER -59.75 -56.03 26.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.12 -179.775 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 145' ' ' ALA . . . . . 0.434 ' HA ' HD12 ' A' ' 148' ' ' LEU . . . -55.93 -55.03 37.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.39 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.18 -31.29 68.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.114 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 24.3 m -73.33 -44.94 57.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.895 0.379 . . . . 0.0 111.058 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 145' ' ' ALA . 9.4 mt -59.72 -39.39 84.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.021 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -68.5 -57.85 5.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 31.6 mm -62.6 -18.99 21.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.313 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.509 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.582 ' HB3' HG12 ' A' ' 134' ' ' VAL . 1.6 mpp? . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.826 0.346 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -147.71 114.44 6.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.481 ' N ' HG13 ' A' ' 134' ' ' VAL . . . -89.56 -179.98 5.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.035 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -169.52 -171.46 1.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -118.3 156.16 51.07 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.676 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -85.24 35.4 0.52 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.774 2.316 . . . . 0.0 112.959 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.2 18.99 17.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.293 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.4 ' O ' ' CE3' ' A' ' 95' ' ' TRP . 26.1 p-90 -81.47 145.75 30.58 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 120.845 0.355 . . . . 0.0 111.021 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -110.63 149.76 40.76 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.84 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.9 146.29 58.85 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.587 2.192 . . . . 0.0 112.273 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -158.58 -172.34 3.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.31 -30.56 69.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.077 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.51 -32.5 70.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -62.3 -47.57 83.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 10.6 mt -76.74 -37.57 28.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.086 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -52.12 65.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.44 HD22 ' CZ2' ' A' ' 108' ' ' TRP . 17.1 mt -66.14 -44.26 84.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.15 -42.73 95.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.068 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.17 -36.1 82.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.087 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 16.8 tp -81.47 -30.85 33.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.73 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.44 ' CZ2' HD22 ' A' ' 104' ' ' LEU . 52.8 m0 -72.21 -13.37 61.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.32 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 107.3 37.58 2.27 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.676 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.592 HG21 ' HA ' ' A' ' 145' ' ' ALA . 24.2 t -140.12 119.05 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.813 0.34 . . . . 0.0 111.118 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -98.91 103.24 15.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.1 mt -86.53 118.28 25.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 48.1 mmm-85 -98.11 -59.28 1.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -90.59 150.02 41.77 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.15 159.48 4.07 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.603 2.202 . . . . 0.0 112.363 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 1.005 HG11 HD13 ' A' ' 121' ' ' LEU . 27.7 t -74.71 140.85 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.085 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 76.9 p -91.57 157.93 16.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.5 p -70.64 -41.74 71.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -59.74 -36.99 77.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.52 -50.4 31.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 1.005 HD13 HG11 ' A' ' 116' ' ' VAL . 2.4 tp -61.27 -49.33 77.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.27 -37.89 81.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.4 m -59.73 -48.33 82.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.983 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -60.52 -42.33 96.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.957 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 37.4 mt -71.0 -30.76 42.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.053 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.37 -48.11 79.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -77.11 -31.6 55.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' TRP . . . . . 0.497 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 4.3 t-105 -63.01 -46.97 85.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.786 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -77.49 -35.38 53.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.876 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.04 -30.76 70.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -70.79 -42.05 70.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 59.38 35.22 84.15 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.407 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.52 -164.85 0.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.807 0.337 . . . . 0.0 110.741 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.582 HG12 ' HB3' ' A' ' 88' ' ' MET . 4.4 t -135.98 142.1 39.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.948 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.497 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 4.2 m-85 -132.24 140.28 48.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.956 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' HIS . . . . . 0.426 ' CG ' ' HA ' ' A' ' 88' ' ' MET . 2.9 m-70 -68.39 174.25 4.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.62 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' HIS . . . . . 0.665 ' CE1' HG23 ' A' ' 138' ' ' VAL . 32.3 p-80 -63.14 -49.75 73.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.852 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.665 HG23 ' CE1' ' A' ' 137' ' ' HIS . 23.3 t -60.7 -37.8 76.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.804 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -63.67 -33.79 76.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.519 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.441 ' CZ2' HD11 ' A' ' 144' ' ' LEU . 0.2 OUTLIER -69.07 -42.95 75.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.813 179.819 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.43 ' HG2' ' CZ2' ' A' ' 108' ' ' TRP . 43.3 mt-30 -61.14 -41.32 96.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.038 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -73.38 -42.72 61.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.361 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.73 -53.64 54.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.028 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.441 HD11 ' CZ2' ' A' ' 140' ' ' TRP . 0.2 OUTLIER -67.28 -31.91 72.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.006 -179.833 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 0.592 ' HA ' HG21 ' A' ' 110' ' ' VAL . . . -70.53 -60.07 2.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.169 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.495 ' O ' HD12 ' A' ' 150' ' ' ILE . 3.9 mtm-85 -60.76 -29.01 69.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.929 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.9 m -66.55 -52.48 45.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 83.3 mt -75.06 -30.68 61.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -67.9 -57.78 5.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.968 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.495 HD12 ' O ' ' A' ' 146' ' ' ARG . 6.5 mt -75.39 -19.75 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.328 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -74.88 -44.49 24.41 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.516 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -68.62 -41.82 78.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.822 0.344 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -59.78 -33.21 71.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.7 p -85.24 -35.19 21.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -62.45 99.46 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -151.17 -77.15 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.518 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -80.72 -62.68 2.0 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.524 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 10.9 tp -170.34 102.94 0.43 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.564 0.221 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -68.54 100.95 0.71 Allowed 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.48 2.12 . . . . 0.0 112.343 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 1.9 ttpp -141.63 -67.23 0.4 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.22 71.37 0.55 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.004 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 162' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -97.15 96.3 8.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 9.4 p -109.85 -24.75 3.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.24 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 62.33 176.44 0.13 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.908 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 19.0 p 53.81 71.29 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.053 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 15.3 t -134.86 147.43 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.073 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 31.3 m -98.6 36.97 1.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.071 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 59.86 95.7 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.34 142.26 36.9 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.464 2.11 . . . . 0.0 112.317 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -105.48 30.03 6.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.96 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 13.5 m 59.66 46.86 11.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -88.55 176.67 7.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 6.3 mt 51.43 79.14 0.36 Allowed Pre-proline 0 C--N 1.331 -0.21 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.244 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.3 166.71 28.4 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.597 2.198 . . . . 0.0 112.351 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.28 176.08 7.65 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.593 2.195 . . . . 0.0 112.362 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . -176.73 -147.65 6.67 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -107.3 -41.53 5.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.331 . . . . 0.0 110.866 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 60.91 111.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.082 0 CA-C-O 118.403 -1.221 . . . . 0.0 112.517 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.472 ' HB3' HG12 ' A' ' 134' ' ' VAL . 2.1 mtp . . . . . 0 N--CA 1.488 1.447 0 CA-C-O 120.835 0.35 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.407 ' CD1' ' O ' ' A' ' 88' ' ' MET . 55.8 m-85 -152.07 111.96 4.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.953 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.556 ' HB2' HG22 ' A' ' 134' ' ' VAL . . . -97.6 169.48 9.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.032 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 9.0 mtm -144.56 -166.52 2.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -119.37 155.44 53.92 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.765 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -87.52 39.57 0.57 Allowed 'Trans proline' 0 N--CA 1.459 -0.502 0 C-N-CA 122.901 2.4 . . . . 0.0 112.684 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -112.55 -15.49 13.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.308 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 40.0 p-90 -53.64 151.55 5.96 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.867 0.365 . . . . 0.0 111.184 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -136.79 149.68 67.63 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.91 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.22 151.44 17.17 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.534 2.156 . . . . 0.0 112.311 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -172.56 -176.4 1.52 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.24 -31.39 70.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.031 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -63.07 -31.81 73.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.463 ' CZ ' HD21 ' A' ' 144' ' ' LEU . 0.1 OUTLIER -61.42 -50.62 72.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 33.7 mm -69.19 -35.81 69.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.27 -50.5 73.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.808 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.509 HD13 ' CZ2' ' A' ' 108' ' ' TRP . 13.0 mt -68.51 -41.85 79.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.81 -37.54 87.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.163 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.98 -43.02 89.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.185 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 20.0 tp -81.39 -27.95 34.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.818 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.509 ' CZ2' HD13 ' A' ' 104' ' ' LEU . 26.1 m0 -68.15 -13.48 62.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.279 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 99.41 43.62 2.5 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.5 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 17.5 t -136.61 110.71 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.849 0.357 . . . . 0.0 111.052 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -81.32 116.83 21.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.057 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.439 HD22 ' N ' ' A' ' 112' ' ' LEU . 3.8 mm? -75.06 114.02 13.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.62 -31.24 10.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -133.97 159.44 72.39 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.08 165.55 23.74 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.58 2.187 . . . . 0.0 112.247 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 26.5 t -78.41 120.24 28.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.082 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 22.9 p -87.11 153.57 21.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 7.4 m -69.06 -31.38 70.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -60.86 -43.68 98.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -68.57 -45.25 72.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 40.4 mt -61.72 -48.5 80.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.948 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.12 -43.82 97.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.137 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 26.5 p -61.98 -32.63 73.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -70.47 -51.06 31.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 47.3 mt -68.19 -30.49 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.136 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.69 -58.08 6.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.123 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -67.77 -35.38 78.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.983 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' TRP . . . . . 0.499 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 4.5 t-105 -69.9 -42.08 73.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.707 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -75.37 -36.23 60.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.931 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.3 -44.94 82.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -63.03 -49.3 75.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.982 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 62.7 36.57 93.47 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.421 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -102.19 -162.66 0.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.819 0.342 . . . . 0.0 110.756 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.556 HG22 ' HB2' ' A' ' 90' ' ' ALA . 16.6 t -134.22 141.91 42.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.173 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.499 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 6.6 m-85 -130.17 163.46 26.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -90.59 178.46 6.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.757 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 33.0 t60 -61.2 -56.39 21.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.818 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 26.5 t -62.77 -34.96 68.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.99 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -63.08 -46.08 89.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.776 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.624 ' CZ3' HD13 ' A' ' 144' ' ' LEU . 1.7 t90 -62.83 -38.46 90.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.574 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.439 ' HG3' ' CD2' ' A' ' 108' ' ' TRP . 12.8 tt0 -61.82 -52.61 63.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.831 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -65.86 -30.45 71.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.58 -54.27 45.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.996 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.624 HD13 ' CZ3' ' A' ' 140' ' ' TRP . 0.1 OUTLIER -67.17 -42.44 84.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -61.33 -50.62 72.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.049 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.65 -32.45 72.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.765 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.4 t -65.1 -52.53 54.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 9.4 mt -62.41 -30.02 70.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.828 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -65.54 -57.58 7.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 38.7 mm -64.97 -21.76 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.311 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -80.7 -43.66 8.97 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.474 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.56 -45.2 69.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.814 0.34 . . . . 0.0 110.889 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -62.39 -44.68 95.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 45.0 t -69.62 -28.3 65.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 3.6 m120 62.51 161.83 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -157.1 131.54 2.96 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.531 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 175.17 -126.3 1.16 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.533 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.433 ' N ' ' HD2' ' A' ' 159' ' ' PRO . 0.2 OUTLIER -69.91 -60.05 3.96 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 120.561 0.22 . . . . 0.0 111.001 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 159' ' ' PRO . . . . . 0.433 ' HD2' ' N ' ' A' ' 158' ' ' LEU . 46.6 Cg_endo -68.67 96.51 0.51 Allowed 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.395 2.063 . . . . 0.0 112.303 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 3.3 mttm -79.44 139.26 37.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 8.3 mtt180 -136.54 28.13 3.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.982 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 162' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -138.01 145.83 42.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.805 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 163' ' ' VAL . . . . . 0.418 HG23 ' N ' ' A' ' 164' ' ' ASN . 4.6 m -146.45 -49.84 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.345 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 164' ' ' ASN . . . . . 0.418 ' N ' HG23 ' A' ' 163' ' ' VAL . 46.7 p30 -178.26 -176.42 0.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.099 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 165' ' ' THR . . . . . 0.408 ' CG2' ' O ' ' A' ' 164' ' ' ASN . 9.2 t 44.87 54.08 7.03 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.491 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 4.9 m -94.33 -32.4 4.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.895 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 4.2 m 60.0 170.95 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -122.86 158.22 57.8 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.13 -173.73 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.598 2.199 . . . . 0.0 112.307 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -140.52 141.66 35.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 1.5 p -93.7 125.68 38.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.841 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -78.89 -177.53 5.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.961 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 173' ' ' ILE . . . . . 0.429 HG22 ' O ' ' A' ' 173' ' ' ILE . 3.1 mt 54.47 71.7 1.27 Allowed Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.237 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.63 106.56 0.16 Allowed 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.582 2.188 . . . . 0.0 112.356 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -56.32 140.66 88.65 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.507 2.138 . . . . 0.0 112.206 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 164.17 -148.19 14.15 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.543 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER 61.49 168.59 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.867 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.1 178.22 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.441 -1.199 . . . . 0.0 112.439 179.888 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.725 ' HB3' HG12 ' A' ' 134' ' ' VAL . 1.6 mtp . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.71 0.291 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.413 ' C ' HG13 ' A' ' 134' ' ' VAL . 1.4 p90 -167.16 124.94 1.26 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.914 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.461 ' N ' HG13 ' A' ' 134' ' ' VAL . . . -88.67 108.87 19.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.249 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 18.1 mtp -76.8 -174.64 3.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -113.38 163.5 18.18 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.682 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -86.11 38.08 0.58 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.836 2.357 . . . . 0.0 112.649 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.15 -17.57 12.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.306 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.405 ' O ' ' CE3' ' A' ' 95' ' ' TRP . 37.8 p-90 -52.42 137.29 29.85 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.831 0.348 . . . . 0.0 111.294 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -132.35 167.68 21.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.833 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.41 145.92 54.73 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.491 2.128 . . . . 0.0 112.353 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -165.73 -170.97 1.93 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.76 -42.07 96.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.048 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -60.19 -31.85 70.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.413 ' CE1' HD21 ' A' ' 144' ' ' LEU . 46.6 t80 -64.53 -42.71 95.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 34.1 mt -75.29 -33.22 27.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -53.22 41.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.88 HD23 ' CZ2' ' A' ' 108' ' ' TRP . 6.9 mp -64.41 -42.79 95.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.782 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.98 -41.5 98.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.113 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.1 -34.65 76.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 19.7 tp -81.52 -31.55 32.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.673 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.88 ' CZ2' HD23 ' A' ' 104' ' ' LEU . 51.5 m0 -72.62 -13.41 61.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.307 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 105.53 47.3 1.13 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.439 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.5 t -139.23 114.28 8.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.766 0.317 . . . . 0.0 111.2 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -104.96 118.79 37.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.042 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.8 150.83 42.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.86 -44.58 4.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.5 163.26 17.37 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.01 145.16 66.69 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.583 2.189 . . . . 0.0 112.362 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 21.2 t -62.68 139.96 20.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.096 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 22.9 p -75.82 157.69 33.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.825 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 11.7 p -70.92 -28.63 64.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -57.78 -42.13 83.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.036 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.461 ' OE1' HD23 ' A' ' 148' ' ' LEU . 11.2 tt0 -67.02 -44.27 80.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 11.0 mp -65.54 -46.69 78.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.985 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.24 -38.11 89.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.061 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 22.6 m -68.87 -33.43 73.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.859 ' CZ ' HD12 ' A' ' 144' ' ' LEU . 1.4 t80 -69.58 -43.51 72.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 26.9 mt -69.67 -33.5 56.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.17 -49.26 70.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.03 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -73.53 -31.91 63.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' TRP . . . . . 0.504 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 5.2 t-105 -67.26 -45.98 75.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.717 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -76.05 -34.0 59.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.43 -30.81 64.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.079 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -68.53 -39.9 80.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 59.77 45.49 95.67 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.525 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.46 -164.76 1.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.836 0.35 . . . . 0.0 110.766 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.725 HG12 ' HB3' ' A' ' 88' ' ' MET . 4.3 t -141.21 142.11 29.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.998 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.504 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 3.6 m-85 -132.48 160.03 37.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.865 0.364 . . . . 0.0 111.05 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' HIS . . . . . 0.442 ' CD2' ' HG3' ' A' ' 88' ' ' MET . 0.5 OUTLIER -87.83 177.61 6.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.768 179.817 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -63.0 -46.26 88.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 21.3 t -63.32 -37.97 80.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.937 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -66.86 -32.4 73.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.687 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 9.4 t90 -69.39 -43.83 72.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.448 ' HB2' ' CD2' ' A' ' 108' ' ' TRP . 2.9 pt20 -73.83 -30.46 62.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.959 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -75.03 -46.92 31.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.03 -54.41 38.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.935 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.859 HD12 ' CZ ' ' A' ' 124' ' ' PHE . 0.2 OUTLIER -58.97 -48.0 83.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.011 -179.83 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -59.11 -52.7 64.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.11 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -30.53 71.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.963 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 5.7 t -69.68 -48.0 61.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.461 HD23 ' OE1' ' A' ' 120' ' ' GLU . 3.4 mt -66.39 -29.65 69.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -66.96 -57.85 6.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.052 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -67.43 -27.25 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.297 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -65.53 -47.99 72.57 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.438 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -81.49 -32.09 32.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.815 0.341 . . . . 0.0 110.886 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -68.86 -35.18 76.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 58.1 m -85.63 -31.79 22.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -92.31 147.83 22.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 166.2 83.09 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.492 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 156.06 101.47 0.19 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.489 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 1.2 tp -121.19 128.05 25.89 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 120.592 0.234 . . . . 0.0 110.785 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -72.97 74.85 2.84 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.452 2.102 . . . . 0.0 112.267 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 7.8 mttp 63.01 145.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.42 92.93 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 162' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -129.66 139.03 51.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 163' ' ' VAL . . . . . 0.484 HG13 ' N ' ' A' ' 164' ' ' ASN . 12.6 p -137.68 -45.39 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 164' ' ' ASN . . . . . 0.484 ' N ' HG13 ' A' ' 163' ' ' VAL . 0.5 OUTLIER -114.04 159.68 19.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.895 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 1.4 m 60.75 92.72 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 21.5 t -132.08 -46.06 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.176 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 3.3 m -152.9 80.2 1.21 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -120.08 87.52 39.31 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.903 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.65 81.4 1.04 Allowed 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.505 2.137 . . . . 0.0 112.337 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -176.87 -48.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 8.6 p 61.63 149.16 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.022 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 62.45 119.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.021 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 173' ' ' ILE . . . . . 0.485 ' HB ' ' HD3' ' A' ' 174' ' ' PRO . 15.9 mt -81.44 -47.84 1.05 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.478 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 174' ' ' PRO . . . . . 0.485 ' HD3' ' HB ' ' A' ' 173' ' ' ILE . 88.2 Cg_endo -82.53 165.43 16.14 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.439 2.093 . . . . 0.0 112.456 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -71.97 110.76 3.0 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.681 2.254 . . . . 0.0 112.287 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . -121.96 -162.09 11.5 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.477 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -88.28 -46.23 9.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.859 0.361 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 10.8 ttm180 61.15 83.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.398 -1.223 . . . . 0.0 112.532 -179.967 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.408 ' HB2' HG12 ' A' ' 134' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.788 0.328 . . . . 0.0 111.113 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -160.12 120.69 2.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.428 ' HB2' HG22 ' A' ' 134' ' ' VAL . . . -81.08 -179.88 7.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.03 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -173.77 -165.84 0.27 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.812 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 10.4 p90 -114.46 149.41 42.14 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.623 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -84.93 35.49 0.53 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.72 2.28 . . . . 0.0 112.787 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -113.19 9.99 18.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.477 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.462 ' CZ2' HG12 ' A' ' 125' ' ' ILE . 38.0 p-90 -71.88 140.14 49.16 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 120.849 0.357 . . . . 0.0 110.852 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -107.68 145.43 31.31 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.32 143.74 52.31 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.546 2.164 . . . . 0.0 112.318 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -152.45 -176.85 5.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.29 -30.64 68.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.137 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -59.49 -32.31 70.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.96 -52.94 62.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 19.5 mt -73.03 -30.55 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.027 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.45 -52.22 59.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.945 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.761 HD23 ' CZ2' ' A' ' 108' ' ' TRP . 6.9 mp -66.24 -46.25 77.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.71 -32.16 73.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.28 -32.74 49.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.159 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 17.5 tp -81.47 -30.99 33.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.672 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.761 ' CZ2' HD23 ' A' ' 104' ' ' LEU . 52.9 m0 -74.84 -13.42 60.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.235 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 95.75 35.38 5.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.539 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.5 t -112.61 110.64 32.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.833 0.349 . . . . 0.0 111.088 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -120.06 129.8 54.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.091 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.4 mp -102.6 159.22 15.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -101.28 -40.53 7.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -123.88 160.58 51.01 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.79 125.06 11.69 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.593 2.195 . . . . 0.0 112.322 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.484 HG12 ' N ' ' A' ' 117' ' ' THR . 27.9 t -75.29 158.49 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.029 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.484 ' N ' HG12 ' A' ' 116' ' ' VAL . 0.2 OUTLIER -102.97 170.4 7.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.943 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 71.8 p -61.87 -23.2 66.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.062 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -53.56 -43.56 68.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.1 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -65.75 -49.01 69.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 13.4 mt -60.39 -49.99 75.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.45 -32.65 70.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.17 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.05 -41.93 85.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.99 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -67.03 -48.04 69.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.008 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.462 HG12 ' CZ2' ' A' ' 95' ' ' TRP . 49.2 mt -59.89 -43.96 93.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.023 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.43 -45.56 91.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.053 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -67.56 -35.51 79.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' TRP . . . . . 0.424 ' CE3' ' CE2' ' A' ' 135' ' ' PHE . 6.5 t-105 -65.95 -52.33 50.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.772 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.07 -30.48 66.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.937 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.34 -40.4 62.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.119 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -59.95 -39.57 86.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 59.47 38.08 93.01 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.412 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.14 -165.4 1.4 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.822 0.344 . . . . 0.0 110.824 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.428 HG22 ' HB2' ' A' ' 90' ' ' ALA . 20.2 t -131.92 141.96 44.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.107 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.424 ' CE2' ' CE3' ' A' ' 128' ' ' TRP . 6.0 m-85 -128.44 156.96 42.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.987 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' HIS . . . . . 0.416 ' CD2' ' N ' ' A' ' 136' ' ' HIS . 5.2 m170 -87.7 171.81 10.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -67.13 -45.1 78.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.819 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.14 -32.88 57.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.996 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -71.25 -38.96 71.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.757 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 25.3 t90 -65.58 -44.29 87.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.811 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.468 ' HB3' ' CZ2' ' A' ' 108' ' ' TRP . 4.2 pt20 -70.93 -42.89 69.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.043 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -62.96 -50.57 70.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.256 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.58 -54.16 50.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.293 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.93 -43.79 86.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.219 -179.674 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -66.84 -60.12 2.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.42 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 1.2 mmt-85 -58.46 -30.29 66.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.162 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 36.9 t -71.1 -52.64 18.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.057 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 65.8 mt -59.79 -30.04 68.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -54.27 15.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 28.5 mm -69.54 -20.51 23.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.329 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -74.68 -47.07 16.1 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.477 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -70.92 -27.96 64.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.808 0.337 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -55.06 -30.47 59.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.257 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.47 -41.78 6.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 59.93 31.77 20.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 103.7 169.46 25.45 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.498 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -172.26 -81.03 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.497 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.417 ' N ' ' HD2' ' A' ' 159' ' ' PRO . 4.0 mm? -69.89 -61.26 3.07 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 120.633 0.254 . . . . 0.0 110.962 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 159' ' ' PRO . . . . . 0.417 ' HD2' ' N ' ' A' ' 158' ' ' LEU . 46.5 Cg_endo -68.63 154.51 71.32 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.433 2.088 . . . . 0.0 112.284 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -114.7 -178.32 3.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -64.51 109.46 1.97 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.81 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 162' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.79 114.01 14.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 21.4 t -101.2 120.39 50.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 18.2 p-10 -67.24 124.38 22.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 22.4 p 53.26 86.05 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 10.7 p -136.58 141.65 40.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 4.3 t -140.92 138.86 34.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.843 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 168' ' ' GLU . . . . . 0.426 ' CB ' ' HD3' ' A' ' 169' ' ' PRO . 0.4 OUTLIER -67.11 -52.11 32.32 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.924 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 169' ' ' PRO . . . . . 0.426 ' HD3' ' CB ' ' A' ' 168' ' ' GLU . 24.0 Cg_exo -63.5 104.59 0.45 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.495 2.13 . . . . 0.0 112.127 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -161.11 150.17 16.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.928 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.23 165.21 14.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -129.25 74.3 1.57 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 173' ' ' ILE . . . . . 0.498 ' N ' ' CD ' ' A' ' 174' ' ' PRO . 1.7 mp -83.52 -45.89 0.81 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.406 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 174' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 173' ' ' ILE . 33.6 Cg_exo -58.12 140.28 93.55 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.38 2.054 . . . . 0.0 112.19 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.61 114.29 3.93 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.445 2.096 . . . . 0.0 112.357 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 177.8 -164.45 33.43 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.592 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -146.49 -54.54 0.25 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.79 0.329 . . . . 0.0 110.932 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 54.7 mtm-85 -86.6 -33.86 20.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.09 0 CA-C-O 118.355 -1.247 . . . . 0.0 112.506 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.663 ' HB3' HG12 ' A' ' 134' ' ' VAL . 6.3 mtp . . . . . 0 N--CA 1.489 1.483 0 CA-C-O 120.835 0.35 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -146.74 110.39 4.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.535 ' HB2' HG22 ' A' ' 134' ' ' VAL . . . -79.77 104.68 10.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.126 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 4.4 mmm -76.79 -170.49 1.61 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -115.06 141.98 27.81 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.545 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -84.92 34.12 0.5 Allowed 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.683 2.256 . . . . 0.0 112.899 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.24 -8.54 13.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.385 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 50.0 p-90 -53.53 140.26 28.87 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 120.936 0.398 . . . . 0.0 111.191 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -103.94 154.62 37.96 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.822 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.86 141.05 63.52 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.562 2.175 . . . . 0.0 112.254 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -157.15 179.41 9.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.03 -29.76 71.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.136 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -58.65 -31.31 68.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.44 ' CZ ' HD11 ' A' ' 144' ' ' LEU . 0.3 OUTLIER -64.73 -44.11 91.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 32.9 mt -73.9 -34.49 39.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.085 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.47 -55.38 34.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.602 HD13 ' CZ2' ' A' ' 108' ' ' TRP . 15.9 mt -63.9 -44.5 92.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.53 -42.49 98.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.137 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.32 -38.88 91.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 18.4 tp -81.54 -31.28 32.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.729 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.602 ' CZ2' HD13 ' A' ' 104' ' ' LEU . 46.5 m0 -70.96 -13.43 62.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.311 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 109.27 43.12 1.2 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.454 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.6 t -128.49 118.39 47.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.789 0.328 . . . . 0.0 111.117 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -118.18 95.52 4.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 23.0 mt -93.66 128.5 39.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.956 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -60.55 2.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -90.55 160.72 38.45 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.3 173.16 0.13 Allowed 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.557 2.171 . . . . 0.0 112.35 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.443 HG13 ' O ' ' A' ' 116' ' ' VAL . 11.3 p -77.09 123.72 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.163 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -93.07 160.59 14.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.25 -29.25 63.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.96 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -57.03 -47.3 81.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.08 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -66.82 -44.33 81.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.808 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 13.2 mt -62.81 -51.78 65.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -58.39 -33.63 69.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 15.0 t -64.84 -47.37 78.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.436 ' CE1' ' HG ' ' A' ' 144' ' ' LEU . 54.1 t80 -62.69 -48.04 81.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.949 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 54.9 mt -64.19 -32.89 59.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.996 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.51 -41.5 93.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -77.0 -35.76 56.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' TRP . . . . . 0.502 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 8.7 t-105 -66.39 -38.5 87.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.793 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -74.0 -43.71 57.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.25 -31.37 69.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.067 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.46 -49.98 71.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 58.72 34.04 75.34 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.562 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.33 -164.13 0.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.775 0.321 . . . . 0.0 110.796 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.663 HG12 ' HB3' ' A' ' 88' ' ' MET . 4.8 t -139.14 142.07 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.502 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 0.6 OUTLIER -139.77 171.17 14.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.948 -179.894 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 136' ' ' HIS . . . . . 0.443 ' CE1' ' HG3' ' A' ' 88' ' ' MET . 4.1 m-70 -95.32 -169.08 1.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.623 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' HIS . . . . . 0.636 ' CE1' HG23 ' A' ' 138' ' ' VAL . 38.9 p-80 -71.3 -45.14 63.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.713 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.636 HG23 ' CE1' ' A' ' 137' ' ' HIS . 21.7 t -63.97 -43.06 97.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.972 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -60.79 -38.94 87.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.766 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.419 ' CZ3' HD12 ' A' ' 144' ' ' LEU . 1.1 t90 -67.7 -34.67 77.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.574 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.429 ' HG3' ' CG ' ' A' ' 108' ' ' TRP . 13.1 tt0 -65.14 -58.07 6.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.919 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -60.47 -35.3 75.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.975 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt -65.06 -54.06 36.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.968 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.746 HD22 HD11 ' A' ' 148' ' ' LEU . 0.4 OUTLIER -65.28 -42.05 93.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.007 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -58.65 -60.01 4.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.229 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 31.7 mtt85 -59.05 -30.13 67.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.042 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 10.6 t -70.47 -36.66 74.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.746 HD11 HD22 ' A' ' 144' ' ' LEU . 14.5 mt -79.91 -35.23 38.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.959 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.56 -49.73 24.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.964 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 23.9 mt -81.77 -20.58 10.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.392 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -79.81 -41.61 12.41 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.78 -31.25 61.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.815 0.341 . . . . 0.0 110.937 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -75.18 -30.52 60.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 27.1 m -90.97 -34.05 15.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -116.86 48.39 1.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -145.98 28.09 1.72 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.442 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -107.43 -27.09 5.4 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.546 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.94 108.16 44.72 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 120.544 0.211 . . . . 0.0 110.889 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -50.5 173.43 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.403 2.069 . . . . 0.0 112.448 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.93 114.08 18.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -93.6 162.11 14.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 162' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -126.72 152.75 46.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 11.1 p -141.57 140.95 30.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 25.7 m120 60.68 162.99 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 165' ' ' THR . . . . . 0.403 ' O ' HG23 ' A' ' 165' ' ' THR . 3.2 t -94.73 104.51 16.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 3.7 m -97.99 84.05 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.185 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.63 35.43 4.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -138.42 149.82 64.27 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.93 78.37 1.07 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.527 2.152 . . . . 0.0 112.261 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.29 -31.77 7.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.819 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.0 -80.04 0.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.884 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -178.71 114.7 0.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 2.4 mp 48.25 85.21 0.18 Allowed Pre-proline 0 CA--C 1.53 0.2 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.341 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 174' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' A' ' 175' ' ' PRO . 50.6 Cg_exo -53.2 148.56 31.32 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.506 2.137 . . . . 0.0 112.308 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 175' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 174' ' ' PRO . 50.3 Cg_exo -53.61 -60.03 0.79 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.488 2.125 . . . . 0.0 112.299 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . -59.23 104.49 0.54 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.549 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -84.93 110.93 19.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.75 0.31 . . . . 0.0 110.854 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 7.0 mmt180 -78.68 -51.34 9.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.845 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.027 0 CA-C-O 118.341 -1.255 . . . . 0.0 112.472 -179.969 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.626 ' HB3' HG12 ' A' ' 134' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.856 0.36 . . . . 0.0 111.195 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -139.66 110.54 6.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.938 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.836 ' HB2' HG13 ' A' ' 134' ' ' VAL . . . -106.17 179.57 4.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 7.0 ptp -174.01 -172.56 0.73 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.809 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -94.44 163.68 22.25 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.685 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -87.11 39.59 0.61 Allowed 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 122.837 2.358 . . . . 0.0 112.57 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -110.38 -9.14 14.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.712 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.492 ' CZ2' HG12 ' A' ' 125' ' ' ILE . 29.1 p-90 -61.47 145.91 50.26 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 120.793 0.33 . . . . 0.0 110.945 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -120.42 154.13 56.44 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -68.84 146.12 64.82 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.638 2.225 . . . . 0.0 112.271 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.0 -171.14 3.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.76 -33.68 72.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.075 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -60.53 -30.89 70.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.751 ' CZ ' HD21 ' A' ' 144' ' ' LEU . 9.3 t80 -60.54 -50.22 74.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 33.8 mt -76.16 -35.73 29.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.175 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -46.14 83.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.419 HD22 ' CZ2' ' A' ' 108' ' ' TRP . 18.1 mt -69.54 -43.45 72.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.3 -34.92 74.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.59 -39.12 88.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.045 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 20.2 tp -81.44 -29.67 33.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.755 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.442 ' CD2' ' HB2' ' A' ' 141' ' ' GLN . 52.0 m0 -73.03 -13.44 61.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.28 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 107.0 47.97 0.98 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.591 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.6 t -141.11 125.68 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.82 0.343 . . . . 0.0 111.148 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -111.04 104.35 12.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.052 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 45.3 mt -118.93 118.36 31.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.31 -34.11 63.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.2 163.41 20.13 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -65.04 174.51 4.74 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.532 2.155 . . . . 0.0 112.265 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 21.1 t -67.1 154.71 7.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.138 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.55 161.16 13.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.872 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.5 p -65.7 -42.81 90.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -59.01 -40.17 84.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -48.42 72.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.7 -40.9 88.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.09 -37.23 79.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.124 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.2 m -74.03 -35.08 64.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.775 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.588 ' CZ ' HD12 ' A' ' 144' ' ' LEU . 3.0 t80 -66.1 -58.85 4.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.492 HG12 ' CZ2' ' A' ' 95' ' ' TRP . 63.6 mt -60.38 -41.47 87.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.72 -59.07 6.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.081 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -64.26 -30.95 71.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.745 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' TRP . . . . . 0.501 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 9.2 t-105 -67.09 -41.89 85.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.766 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -76.3 -42.99 43.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.43 -30.83 71.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.071 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.65 -49.95 75.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 67.96 37.24 87.67 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.521 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -129.12 -166.18 1.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.752 0.31 . . . . 0.0 110.753 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.836 HG13 ' HB2' ' A' ' 90' ' ' ALA . 2.8 t -130.99 142.06 44.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.048 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.501 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 12.9 m-85 -124.54 148.17 47.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.957 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' HIS . . . . . 0.43 ' CG ' ' HA ' ' A' ' 88' ' ' MET . 0.3 OUTLIER -88.34 -173.3 4.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 179.863 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 23.1 m80 -67.74 -44.01 78.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 26.5 t -67.71 -40.76 84.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.044 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -66.13 -36.75 83.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 13.9 t90 -65.88 -45.28 82.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.442 ' HB2' ' CD2' ' A' ' 108' ' ' TRP . 4.2 pt20 -73.06 -41.0 64.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.068 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.38 -49.9 67.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.04 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.31 -53.21 60.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.97 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.751 HD21 ' CZ ' ' A' ' 101' ' ' PHE . 0.3 OUTLIER -59.55 -47.84 83.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.93 -179.88 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -60.42 -43.96 96.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.64 -29.09 66.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.95 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.2 m -72.08 -44.35 63.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.972 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.44 ' CD1' HD23 ' A' ' 144' ' ' LEU . 34.7 mt -71.61 -36.1 70.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.976 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -63.66 -56.04 18.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.0 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 29.7 mt -78.02 -19.68 13.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.412 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -74.54 -32.39 57.65 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.548 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.71 -27.88 33.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.763 0.316 . . . . 0.0 111.012 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -74.67 -58.44 3.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.44 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.92 -41.84 6.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.147 -179.678 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 57.6 t30 63.48 67.18 0.66 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.814 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 130.54 -93.63 0.31 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.44 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 164.42 78.16 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.453 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 7.6 mt -90.56 142.33 27.93 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.604 0.24 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.85 92.84 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.541 2.16 . . . . 0.0 112.224 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -31.48 72.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.832 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 161' ' ' ARG . . . . . 0.482 ' O ' HG21 ' A' ' 166' ' ' VAL . 0.5 OUTLIER -169.44 78.62 0.11 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.795 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 162' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -91.5 105.48 17.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 163' ' ' VAL . . . . . 0.447 HG13 ' N ' ' A' ' 164' ' ' ASN . 11.2 p -167.62 -43.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 164' ' ' ASN . . . . . 0.75 ' O ' HG23 ' A' ' 166' ' ' VAL . 3.6 m-20 -166.03 160.44 16.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 20.2 p 50.03 47.83 22.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.246 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 164' ' ' ASN . 21.7 t -139.1 127.75 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 32.3 m -148.84 22.15 0.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 63.03 132.2 0.03 OUTLIER Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -77.99 57.95 6.33 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.494 2.13 . . . . 0.0 112.434 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -117.62 -39.32 3.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.955 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 3.2 t -143.88 125.42 14.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.957 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -132.21 167.64 19.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 23.8 mm -98.72 111.86 61.31 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.071 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -48.03 104.71 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.533 2.155 . . . . 0.0 112.51 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.72 -45.13 0.8 Allowed 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.541 2.161 . . . . 0.0 112.259 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 81.62 87.63 0.66 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.43 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -70.32 172.26 8.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.817 0.342 . . . . 0.0 110.923 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 14.5 ttm-85 -135.39 103.83 5.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.853 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.083 0 CA-C-O 118.378 -1.234 . . . . 0.0 112.542 179.956 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.626 ' HB2' HG12 ' A' ' 134' ' ' VAL . 8.7 ptp . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.739 0.304 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 55.7 p90 -164.42 123.19 1.84 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.011 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -105.79 -179.97 4.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.089 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.09 -166.84 1.5 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.968 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -100.26 158.54 31.79 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.467 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -83.44 35.58 0.57 Allowed 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.619 2.213 . . . . 0.0 112.977 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -113.53 -8.61 13.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.467 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 37.9 p-90 -54.81 157.85 2.94 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 120.913 0.387 . . . . 0.0 111.417 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -128.84 139.54 35.94 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.733 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.2 172.46 0.15 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.478 2.118 . . . . 0.0 112.323 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -169.05 -171.49 1.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.94 -30.47 70.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.466 ' OD1' HD13 ' A' ' 104' ' ' LEU . 18.9 t0 -64.71 -33.5 76.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.93 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.2 -54.71 42.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.836 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 5.2 mt -64.24 -42.36 95.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -48.9 79.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.939 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.904 HD23 ' CZ2' ' A' ' 108' ' ' TRP . 7.7 mp -68.82 -38.54 79.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.99 -39.21 88.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.55 -30.64 47.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.149 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 17.5 tp -81.46 -30.69 33.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.702 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.904 ' CZ2' HD23 ' A' ' 104' ' ' LEU . 49.6 m0 -73.05 -13.42 61.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.309 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 101.74 44.04 2.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.606 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.3 t -141.61 117.86 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.761 0.315 . . . . 0.0 111.056 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -100.99 124.23 46.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.117 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.5 mp -118.26 110.45 17.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -95.82 -35.75 11.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.841 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.51 154.13 50.89 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -69.11 135.14 31.17 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.573 2.182 . . . . 0.0 112.285 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 11.0 p -59.58 144.8 12.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.057 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 40.6 p -103.09 151.17 22.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.9 t -64.86 -31.48 72.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.56 -36.51 84.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -70.91 -50.7 32.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 19.8 mt -63.28 -47.12 83.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.79 -39.66 85.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 57.3 p -62.11 -43.75 98.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.418 ' CZ ' ' HG ' ' A' ' 144' ' ' LEU . 45.2 t80 -60.78 -48.48 81.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.937 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 59.3 mt -62.44 -32.88 56.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.03 -51.32 68.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.95 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -67.15 -32.02 72.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.693 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' TRP . . . . . 0.495 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 7.9 t-105 -67.74 -40.72 84.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.635 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -76.93 -35.29 57.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -76.5 -28.15 56.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.17 -42.65 91.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.833 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 60.88 45.2 97.0 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.447 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -142.71 -175.08 4.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.802 0.334 . . . . 0.0 110.564 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.626 HG12 ' HB2' ' A' ' 88' ' ' MET . 12.1 t -130.51 142.11 44.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.066 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.495 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 2.1 m-85 -126.63 164.04 22.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.926 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' HIS . . . . . 0.425 ' CE1' ' HB3' ' A' ' 88' ' ' MET . 0.7 OUTLIER -92.13 174.05 7.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.749 179.853 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 33.0 t-80 -64.72 -48.81 73.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.747 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.39 -35.36 75.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.025 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -73.21 -34.56 65.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -69.0 -36.17 77.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.028 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.47 ' HB3' ' CE2' ' A' ' 108' ' ' TRP . 11.4 pt20 -73.83 -42.16 61.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.23 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -75.2 -28.31 59.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.229 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -75.76 -40.21 55.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.978 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.418 ' HG ' ' CZ ' ' A' ' 124' ' ' PHE . 0.5 OUTLIER -70.18 -44.31 69.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.947 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -63.64 -56.48 15.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.109 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -60.23 -30.73 69.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 4.0 m -67.95 -43.89 78.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.937 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 95.1 mt -74.48 -35.01 63.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -67.08 -51.79 50.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.995 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 30.3 mt -80.3 -19.21 12.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.39 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -76.35 -41.64 25.2 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.513 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.25 -31.56 58.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.841 0.353 . . . . 0.0 110.932 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -63.63 -45.48 90.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.029 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 66.6 m -79.57 -31.69 41.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -77.22 -63.82 1.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 86.14 43.32 6.34 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.487 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 82.46 129.14 1.24 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.531 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 2.4 mp -119.77 88.83 40.54 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 120.753 0.311 . . . . 0.0 110.819 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -69.2 148.0 67.76 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.575 2.183 . . . . 0.0 112.325 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 14.9 ttpt -102.37 134.2 46.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 24.1 mtt85 -135.27 71.09 1.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.783 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 162' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.42 88.4 2.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 11.2 m -147.87 126.04 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 63.79 138.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 60.84 37.1 18.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 21.3 t -86.04 -36.36 10.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.081 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 60.72 158.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.771 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -92.98 145.6 30.43 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.965 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.66 158.16 51.08 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.547 2.164 . . . . 0.0 112.293 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 63.42 129.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.0 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 171' ' ' SER . . . . . 0.706 ' O ' HD12 ' A' ' 173' ' ' ILE . 5.8 m -109.76 -29.56 8.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.96 71.97 2.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 173' ' ' ILE . . . . . 0.706 HD12 ' O ' ' A' ' 171' ' ' SER . 2.5 mp -81.85 -47.29 1.01 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.53 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 174' ' ' PRO . . . . . 0.466 ' HD3' ' HB ' ' A' ' 173' ' ' ILE . 85.8 Cg_endo -82.27 168.53 14.91 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.299 1.999 . . . . 0.0 112.417 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.29 -22.64 25.12 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.505 2.137 . . . . 0.0 112.344 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . -107.81 -145.82 12.14 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.572 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -84.26 -174.95 5.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.829 0.347 . . . . 0.0 110.983 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.41 147.1 1.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.42 -1.211 . . . . 0.0 112.553 -179.918 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.563 ' HB3' HG12 ' A' ' 134' ' ' VAL . 47.9 mtm . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.817 0.341 . . . . 0.0 111.177 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -148.58 108.17 3.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.66 ' HB2' HG22 ' A' ' 134' ' ' VAL . . . -88.43 104.41 16.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.181 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 6.5 ptm -82.27 -167.59 1.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 18.6 p90 -117.23 143.43 31.85 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.524 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -84.91 31.94 0.49 Allowed 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.744 2.296 . . . . 0.0 112.992 -179.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.27 19.63 16.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.343 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.442 ' CZ2' HG12 ' A' ' 125' ' ' ILE . 27.7 p-90 -77.1 142.4 39.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.804 0.335 . . . . 0.0 111.007 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -110.48 158.91 34.07 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.766 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -66.89 141.65 59.61 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.534 2.156 . . . . 0.0 112.284 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -162.81 -174.81 4.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.69 -32.2 72.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -59.22 -36.59 75.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.18 -47.91 82.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 28.6 mt -74.43 -30.42 25.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.057 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.33 -52.62 38.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.77 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.837 HD23 ' CZ2' ' A' ' 108' ' ' TRP . 6.0 mp -66.0 -38.02 87.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.94 -43.91 97.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.131 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.4 -30.7 60.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.278 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 19.3 tp -81.37 -31.62 33.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.723 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.837 ' CZ2' HD23 ' A' ' 104' ' ' LEU . 39.6 m0 -73.76 -13.41 60.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.261 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 106.1 27.77 5.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.51 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.535 HG11 HD12 ' A' ' 148' ' ' LEU . 21.2 t -119.93 111.17 31.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.835 0.35 . . . . 0.0 111.115 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -117.59 98.16 6.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.7 mt -93.79 120.64 34.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.779 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.81 -39.11 57.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.45 140.49 22.05 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.826 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.82 144.22 55.95 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.457 2.105 . . . . 0.0 112.29 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 12.7 p -72.86 135.29 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.074 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 38.7 p -80.21 150.66 30.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.3 t -63.61 -30.18 71.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -57.67 -38.38 75.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.003 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -67.88 -43.16 79.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.803 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.86 -48.09 69.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.85 -40.74 98.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.089 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.1 m -65.3 -41.2 94.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.593 ' CZ ' HD12 ' A' ' 144' ' ' LEU . 2.1 t80 -61.47 -52.38 64.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.867 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.442 HG12 ' CZ2' ' A' ' 95' ' ' TRP . 16.8 mt -67.29 -32.0 55.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.027 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.35 -47.39 86.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.066 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -76.05 -31.0 58.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' TRP . . . . . 0.509 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 7.5 t-105 -70.69 -40.73 72.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.812 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.56 -31.42 53.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.872 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.1 -37.49 64.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -73.03 -46.81 49.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.93 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 63.2 29.42 74.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.371 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.36 -159.47 0.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.69 0.281 . . . . 0.0 110.666 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.66 HG22 ' HB2' ' A' ' 90' ' ' ALA . 13.1 t -140.02 141.96 32.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.141 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.509 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 6.8 m-85 -132.83 171.1 14.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.911 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' HIS . . . . . 0.433 ' CE1' ' HA ' ' A' ' 88' ' ' MET . 4.1 m-70 -103.04 175.93 5.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.677 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' HIS . . . . . 0.765 ' CD2' HG23 ' A' ' 138' ' ' VAL . 32.9 p-80 -65.62 -51.73 57.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.766 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.765 HG23 ' CD2' ' A' ' 137' ' ' HIS . 25.7 t -64.71 -34.04 67.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.998 0.428 . . . . 0.0 110.799 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.57 -56.55 18.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.723 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 3.1 t90 -58.59 -33.16 69.67 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.731 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.449 ' HG3' ' CD2' ' A' ' 108' ' ' TRP . 42.3 tt0 -66.24 -52.16 50.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.155 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -69.77 -41.1 75.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.439 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.8 -54.37 47.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.222 -179.689 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.593 HD12 ' CZ ' ' A' ' 124' ' ' PHE . 0.2 OUTLIER -61.95 -43.12 99.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.079 -179.898 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -62.95 -41.13 99.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.286 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -75.79 -25.79 56.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.172 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.76 -41.77 67.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.039 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.535 HD12 HG11 ' A' ' 110' ' ' VAL . 70.9 mt -75.92 -39.76 55.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.13 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -69.42 -56.25 7.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 21.1 mt -74.32 -20.46 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.423 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -74.45 -42.44 33.77 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.542 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.82 -31.38 35.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.688 0.28 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -69.07 -53.65 19.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.11 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.2 m -81.36 -33.69 32.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.965 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 60.74 31.26 20.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.978 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 125.38 -76.02 0.39 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.493 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 145.07 104.86 0.46 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.548 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 6.8 mp -85.4 160.39 54.15 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 120.662 0.268 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -69.0 126.12 13.41 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.502 2.135 . . . . 0.0 112.258 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.28 -71.28 0.25 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -125.41 41.49 3.5 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 162' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -132.75 118.86 19.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 22.0 t -126.11 -68.33 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.147 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -178.33 57.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 4.1 m 60.23 100.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.493 HG13 ' N ' ' A' ' 167' ' ' SER . 8.0 p -151.17 -46.32 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 167' ' ' SER . . . . . 0.493 ' N ' HG13 ' A' ' 166' ' ' VAL . 9.5 t 53.56 45.58 27.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.203 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -167.29 140.22 2.84 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.806 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -75.96 143.66 26.36 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.522 2.148 . . . . 0.0 112.396 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -87.8 79.73 8.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.788 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 80.9 p -111.2 -33.14 6.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -92.23 159.66 15.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 3.5 mt -104.32 110.25 63.9 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -67.87 152.67 76.99 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.407 2.072 . . . . 0.0 112.252 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -68.43 -47.69 1.43 Allowed 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.602 2.201 . . . . 0.0 112.321 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 85.71 -101.42 2.56 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.498 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 1.2 t80 61.06 59.56 1.99 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.823 0.344 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.59 151.6 40.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.398 -1.224 . . . . 0.0 112.476 179.944 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 29.2 mtm . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.78 0.324 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -154.72 99.53 2.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.414 ' CA ' HG13 ' A' ' 134' ' ' VAL . . . -76.6 -179.81 5.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.038 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.66 -163.72 1.31 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.735 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.444 ' N ' ' CD1' ' A' ' 92' ' ' TYR . 1.8 p90 -133.9 155.45 80.24 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.39 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -84.47 20.66 1.19 Allowed 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.765 2.31 . . . . 0.0 113.106 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.15 20.81 15.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.506 0.193 . . . . 0.0 111.471 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.41 ' CE3' ' O ' ' A' ' 95' ' ' TRP . 70.3 p-90 -74.82 118.0 17.3 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 120.828 0.347 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -95.59 155.35 38.69 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.56 157.66 6.92 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.575 2.183 . . . . 0.0 112.293 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -167.61 165.26 14.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.959 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.47 -36.01 75.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -62.59 -33.14 74.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -60.29 -55.12 37.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 34.8 mm -66.86 -35.95 76.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.058 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.45 -53.78 49.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.439 HD22 ' CE2' ' A' ' 108' ' ' TRP . 17.3 mt -61.58 -43.02 99.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.976 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.08 -46.01 89.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.51 -35.84 80.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 17.9 tp -81.47 -31.3 33.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.749 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.455 ' CD2' ' HG3' ' A' ' 141' ' ' GLN . 47.1 m0 -72.06 -13.38 61.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.241 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 107.71 47.57 0.96 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.474 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.436 HG11 ' HB3' ' A' ' 148' ' ' LEU . 21.8 t -141.63 115.74 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.87 0.367 . . . . 0.0 111.112 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -105.55 98.28 7.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.01 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.8 mt -89.64 118.81 29.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.041 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.33 -60.7 1.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -90.88 165.51 21.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.918 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -63.95 137.08 55.86 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.548 2.165 . . . . 0.0 112.203 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.436 HG11 HD23 ' A' ' 121' ' ' LEU . 19.5 t -56.96 145.95 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -88.03 152.73 21.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.821 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.0 t -63.93 -36.49 84.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -60.21 -35.44 75.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -73.42 -43.43 60.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.436 HD23 HG11 ' A' ' 116' ' ' VAL . 0.8 OUTLIER -67.1 -50.42 61.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.1 -35.67 81.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.224 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 27.5 t -61.58 -47.44 85.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.959 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.523 ' CZ ' HD12 ' A' ' 144' ' ' LEU . 1.6 t80 -62.92 -44.4 96.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.006 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 24.3 mt -70.13 -29.97 41.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.1 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.94 -50.85 67.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.076 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -70.25 -32.8 70.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' TRP . . . . . 0.46 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 3.9 t-105 -66.4 -47.03 74.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.765 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -76.43 -34.47 58.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.849 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.36 -34.62 78.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.057 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -72.53 -45.29 60.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 59.31 45.74 94.96 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.455 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -127.85 -165.44 1.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.81 0.338 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.414 HG13 ' CA ' ' A' ' 90' ' ' ALA . 11.1 t -124.55 142.03 42.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.088 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.46 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 10.0 m-85 -129.4 170.29 13.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -97.06 162.2 13.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 43.0 p-80 -59.47 -45.08 92.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 21.4 t -60.51 -33.84 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.182 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -67.49 -44.12 79.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -65.63 -30.72 71.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.455 ' HG3' ' CD2' ' A' ' 108' ' ' TRP . 11.7 tt0 -69.68 -49.42 53.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.096 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -74.63 -41.02 61.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.241 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 13.5 mmmt -58.92 -54.23 49.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.185 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.523 HD12 ' CZ ' ' A' ' 124' ' ' PHE . 0.1 OUTLIER -69.65 -32.92 71.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.13 -179.813 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 0.417 ' HB2' ' O ' ' A' ' 141' ' ' GLN . . . -66.66 -58.86 4.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.177 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -65.67 -26.25 67.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.049 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 45.6 t -74.55 -35.17 63.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.062 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.436 ' HB3' HG11 ' A' ' 110' ' ' VAL . 11.5 mt -78.08 -51.57 10.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.113 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 149' ' ' GLN . . . . . 0.409 ' HG3' HG13 ' A' ' 150' ' ' ILE . 4.4 pt20 -60.04 -45.13 93.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.0 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.409 HG13 ' HG3' ' A' ' 149' ' ' GLN . 44.7 mt -80.64 -23.64 11.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.212 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -81.6 -28.04 44.83 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.524 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 29.2 ttp85 -70.39 -36.92 74.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.872 0.368 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -77.46 -38.08 50.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.054 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 69.8 p -69.28 -33.46 73.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.924 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -128.94 103.13 6.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.903 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -135.26 -75.51 0.08 OUTLIER Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.516 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -120.25 -131.57 4.15 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.495 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.439 HD12 ' HD2' ' A' ' 159' ' ' PRO . 15.3 tp -134.18 137.54 28.38 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.63 0.253 . . . . 0.0 110.748 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 159' ' ' PRO . . . . . 0.439 ' HD2' HD12 ' A' ' 158' ' ' LEU . 69.0 Cg_endo -74.51 58.61 4.58 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.474 2.116 . . . . 0.0 112.417 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 175.18 87.07 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.709 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -171.93 -39.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.09 0.471 . . . . 0.0 111.02 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 162' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.52 85.93 2.26 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.828 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 25.7 t -117.84 -33.3 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.207 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -61.29 84.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.99 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 16.0 m 56.91 50.15 12.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.028 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 11.3 p -72.55 -37.06 55.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 54.3 m -81.81 160.82 23.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.874 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -166.24 87.88 0.87 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_exo -51.87 109.83 0.37 Allowed 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.637 2.225 . . . . 0.0 112.287 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 15.6 p30 -146.27 36.39 1.0 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 51.8 p -143.81 117.76 9.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -76.71 90.47 3.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.98 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 22.3 mt -113.92 88.62 14.67 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.094 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.21 139.1 54.18 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.549 2.166 . . . . 0.0 112.199 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -74.62 124.42 8.8 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.532 2.155 . . . . 0.0 112.351 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 173.12 65.33 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.535 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -154.54 108.64 2.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.771 0.32 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -146.08 140.21 26.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.416 -1.213 . . . . 0.0 112.505 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.734 ' HB3' HG12 ' A' ' 134' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.802 0.334 . . . . 0.0 111.159 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.408 ' C ' HG13 ' A' ' 134' ' ' VAL . 50.6 p90 -159.98 121.25 3.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.751 ' HB2' HG22 ' A' ' 134' ' ' VAL . . . -88.47 109.11 19.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.157 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 18.3 mtp -75.69 -174.3 2.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -110.92 162.99 18.39 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.57 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -85.01 36.65 0.57 Allowed 'Trans proline' 0 N--CA 1.462 -0.367 0 C-N-CA 122.748 2.299 . . . . 0.0 112.792 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.1 -19.32 11.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.357 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.406 ' O ' ' CE3' ' A' ' 95' ' ' TRP . 37.7 p-90 -50.55 133.4 25.21 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.85 0.357 . . . . 0.0 111.417 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -129.04 157.89 74.48 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.764 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.544 ' HD3' HD21 ' A' ' 121' ' ' LEU . 19.4 Cg_endo -58.81 136.74 75.72 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.573 2.182 . . . . 0.0 112.159 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -160.18 -168.68 2.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.43 -35.13 73.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.2 -33.66 74.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.937 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -65.35 -48.57 72.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 32.9 mm -69.85 -37.41 73.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -44.71 93.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.604 HD13 ' CZ2' ' A' ' 108' ' ' TRP . 17.2 mt -70.74 -42.96 69.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.08 -39.25 85.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.064 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.1 -37.36 85.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.061 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 20.1 tp -81.34 -32.14 33.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.682 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.604 ' CZ2' HD13 ' A' ' 104' ' ' LEU . 51.5 m0 -73.54 -13.49 61.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.22 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 90.5 34.62 7.84 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.523 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.5 t -134.33 116.26 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.744 0.306 . . . . 0.0 111.194 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -114.34 131.13 56.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.116 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.5 mt -84.68 128.43 34.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.47 -36.66 13.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.948 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -119.43 165.81 16.33 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.834 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -63.76 146.13 91.65 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.523 2.148 . . . . 0.0 112.179 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 20.7 t -69.39 147.81 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.237 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 73.1 p -106.26 150.97 25.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 34.1 p -72.09 -35.42 69.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.823 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -59.55 -42.15 91.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -64.02 -45.45 88.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.544 HD21 ' HD3' ' A' ' 97' ' ' PRO . 0.9 OUTLIER -65.94 -40.92 91.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.958 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.95 -38.97 83.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.094 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.7 m -68.41 -44.14 75.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -60.1 -48.8 80.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 49.1 mt -69.0 -32.09 53.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.062 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -66.07 -57.54 7.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.068 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -62.3 -35.3 78.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.773 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' TRP . . . . . 0.509 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 4.2 t-105 -63.99 -52.59 58.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.682 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -66.93 -37.24 83.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.29 -35.43 76.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.194 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.06 -41.53 98.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.933 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 61.94 31.52 78.77 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.378 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -110.02 -163.3 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.661 0.267 . . . . 0.0 110.818 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.751 HG22 ' HB2' ' A' ' 90' ' ' ALA . 11.4 t -141.79 142.11 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.114 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.509 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 3.7 m-85 -133.47 154.22 50.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.015 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -78.84 -179.59 6.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.774 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' HIS . . . . . 0.521 ' NE2' HG23 ' A' ' 138' ' ' VAL . 56.3 p-80 -71.27 -44.48 65.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.639 179.725 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.521 HG23 ' NE2' ' A' ' 137' ' ' HIS . 21.6 t -66.16 -34.07 67.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.808 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -69.32 -40.66 77.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.703 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.454 ' CH2' HD13 ' A' ' 144' ' ' LEU . 20.8 t90 -62.71 -43.71 98.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.857 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.44 ' HB2' ' CD2' ' A' ' 108' ' ' TRP . 4.4 pt20 -70.43 -34.92 73.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.866 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -74.43 -34.2 63.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.97 -54.15 14.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.454 HD13 ' CH2' ' A' ' 140' ' ' TRP . 0.2 OUTLIER -60.2 -43.43 95.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -60.1 -59.28 5.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -60.11 -29.87 68.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 7.1 m -64.29 -51.46 63.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.838 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 79.9 mt -65.07 -31.68 73.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -64.03 -47.4 80.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.819 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 21.2 mt -76.51 -19.96 14.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.323 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -73.94 -42.94 35.91 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.514 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -70.48 -35.58 73.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.817 0.341 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -59.7 -31.26 69.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.979 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 12.8 p -97.89 -10.04 25.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.291 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 1.9 m120 65.59 -77.51 0.04 OUTLIER 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.697 0.284 . . . . 0.0 110.912 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 149.56 72.0 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.539 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -139.3 -90.43 0.2 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.465 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 2.2 tt -162.28 73.52 2.24 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 120.759 0.314 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.51 135.52 31.26 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.597 2.198 . . . . 0.0 112.26 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.79 93.32 7.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.13 29.46 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 162' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -107.39 111.68 24.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.972 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 21.4 t -113.38 -66.49 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.082 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -163.76 56.03 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 59.11 103.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 21.5 t -139.3 -48.35 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.092 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 1.4 m -162.1 159.05 25.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.786 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 60.49 89.44 0.11 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -68.88 153.19 73.19 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.521 2.147 . . . . 0.0 112.299 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -173.78 109.22 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.32 -34.33 59.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 59.66 96.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 173' ' ' ILE . . . . . 0.916 HG22 ' HD2' ' A' ' 175' ' ' PRO . 0.2 OUTLIER -91.09 125.45 58.56 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.649 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 174' ' ' PRO . . . . . 0.458 ' N ' ' CD ' ' A' ' 175' ' ' PRO . 31.6 Cg_exo -57.86 -47.27 21.53 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.336 2.024 . . . . 0.0 112.611 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 175' ' ' PRO . . . . . 0.916 ' HD2' HG22 ' A' ' 173' ' ' ILE . 50.2 Cg_exo -53.21 89.51 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.39 2.06 . . . . 0.0 112.306 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 156.23 132.12 1.48 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.554 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -176.99 37.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.859 0.361 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.39 131.68 36.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.835 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.367 -1.241 . . . . 0.0 112.524 179.944 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 22.8 ptm . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.812 0.339 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -153.58 104.39 2.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.697 ' HB2' HG22 ' A' ' 134' ' ' VAL . . . -75.46 124.85 27.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.079 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -120.64 -163.81 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.83 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 5.9 p90 -111.21 154.48 43.58 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.467 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -84.04 29.21 0.55 Allowed 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.746 2.297 . . . . 0.0 113.013 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -113.4 25.73 11.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.576 0.227 . . . . 0.0 111.423 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.435 ' CZ2' HG12 ' A' ' 125' ' ' ILE . 23.1 p-90 -82.3 137.63 34.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.929 0.395 . . . . 0.0 111.226 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.61 92.19 7.27 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.615 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.87 -171.86 1.26 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.602 2.201 . . . . 0.0 112.624 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -168.98 -70.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.624 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -88.14 -36.2 17.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.809 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.18 -25.99 67.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.027 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.441 ' CE1' HG21 ' A' ' 116' ' ' VAL . 9.6 t80 -64.68 -41.41 96.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.859 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 31.0 mt -76.65 -36.63 27.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.143 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.83 -40.36 69.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.807 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 23.2 mt -68.08 -45.04 74.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.768 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.16 -40.44 95.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.032 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.75 -34.25 69.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 19.5 tp -81.44 -30.68 33.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.794 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.419 ' CZ2' ' HG2' ' A' ' 141' ' ' GLN . 46.9 m0 -74.48 -13.29 60.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.302 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 102.03 35.62 3.91 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.519 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 28.7 t -128.79 126.04 64.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.835 0.35 . . . . 0.0 111.033 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -116.04 95.2 4.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.158 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.4 mt -91.05 134.61 34.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -39.4 77.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.923 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.35 164.13 45.07 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.21 160.73 3.07 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.552 2.168 . . . . 0.0 112.244 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.441 HG21 ' CE1' ' A' ' 101' ' ' PHE . 21.9 t -82.63 147.63 5.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 24.2 p -76.57 151.53 36.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.2 t -68.62 -27.91 66.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -57.17 -47.14 81.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.961 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -63.56 -37.82 88.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.819 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 2.7 mt -67.35 -50.3 60.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.1 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.602 ' HB1' ' HG2' ' A' ' 174' ' ' PRO . . . -59.88 -32.57 70.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.163 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.3 p -70.49 -41.3 72.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.763 ' CZ ' HD12 ' A' ' 144' ' ' LEU . 6.4 t80 -63.54 -38.82 92.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.435 HG12 ' CZ2' ' A' ' 95' ' ' TRP . 23.5 mt -70.27 -38.43 74.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.051 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.91 -45.11 95.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.09 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -77.05 -35.0 57.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' TRP . . . . . 0.493 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 5.6 t-105 -61.29 -47.1 87.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.724 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -73.27 -38.11 66.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.02 -30.88 70.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.135 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -63.23 -49.71 73.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 68.4 43.51 78.06 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.528 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -133.92 -165.93 1.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.889 0.376 . . . . 0.0 110.766 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.697 HG22 ' HB2' ' A' ' 90' ' ' ALA . 20.5 t -127.44 150.41 33.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.177 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.493 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 20.8 m-85 -130.08 153.74 48.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.967 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -87.42 170.02 11.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -60.14 -64.11 1.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 26.7 t -54.53 -35.98 33.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.189 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -63.62 -35.57 80.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.72 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -70.16 -40.01 74.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.926 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.419 ' HG2' ' CZ2' ' A' ' 108' ' ' TRP . 31.0 mt-30 -69.36 -36.94 77.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.098 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -74.9 -50.19 17.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.404 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -54.37 47.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.317 -179.6 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.763 HD12 ' CZ ' ' A' ' 124' ' ' PHE . 0.1 OUTLIER -62.52 -48.88 77.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.076 -179.716 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -57.41 -58.55 7.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.205 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 2.2 mmt85 -61.21 -29.51 69.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 31.4 t -66.56 -46.88 74.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 41.2 mt -68.78 -28.02 66.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -72.46 -57.69 3.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.951 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -61.79 -27.92 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.046 0.451 . . . . 0.0 111.199 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -74.91 -39.49 38.49 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.421 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.22 -42.53 72.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.786 0.326 . . . . 0.0 110.809 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -59.48 -38.61 81.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.053 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 43.0 p -78.95 -30.05 44.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.939 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 61.82 98.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 109.45 -102.82 1.67 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.565 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -124.82 -83.62 0.56 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 60.17 91.94 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 120.596 0.236 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -67.93 108.19 1.66 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.572 2.181 . . . . 0.0 112.359 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.93 -35.11 5.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -91.2 51.29 1.9 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 162' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -137.92 148.08 44.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.949 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 21.4 t -108.31 -42.86 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 164' ' ' ASN . . . . . 0.526 ' O ' HG23 ' A' ' 166' ' ' VAL . 8.7 t30 -137.94 154.95 49.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.938 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.49 79.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 164' ' ' ASN . 21.5 t -82.55 -62.9 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 3.4 m 60.42 85.66 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -145.31 77.9 12.52 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.777 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.58 120.18 6.56 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.563 2.175 . . . . 0.0 112.389 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -78.05 90.46 4.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 6.5 p 63.3 135.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.041 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.14 36.2 1.76 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 173' ' ' ILE . . . . . 0.461 HG22 ' H ' ' A' ' 176' ' ' GLY . 24.1 mt -138.48 79.94 28.44 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.033 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 174' ' ' PRO . . . . . 0.602 ' HG2' ' HB1' ' A' ' 122' ' ' ALA . 36.7 Cg_exo -57.05 -47.2 24.04 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.775 2.317 . . . . 0.0 113.175 -179.62 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 175' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 174' ' ' PRO . 58.6 Cg_endo -74.3 -50.85 0.15 Allowed 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.093 1.862 . . . . 0.0 112.686 -179.502 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 176' ' ' GLY . . . . . 0.461 ' H ' HG22 ' A' ' 173' ' ' ILE . . . 141.89 -50.43 0.72 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.623 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 67.48 -72.2 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.811 0.339 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -75.83 75.19 2.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.854 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.426 -1.208 . . . . 0.0 112.508 -179.933 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.488 ' HB3' HG12 ' A' ' 134' ' ' VAL . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.798 0.332 . . . . 0.0 111.183 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -144.06 111.19 5.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.989 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.492 ' N ' HG13 ' A' ' 134' ' ' VAL . . . -85.48 -179.88 7.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.028 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 1.7 tmm? -167.14 177.56 6.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -104.52 150.67 38.77 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.624 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -84.2 35.24 0.54 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.691 2.261 . . . . 0.0 112.912 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.38 13.29 18.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.425 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.446 ' CZ2' HG12 ' A' ' 125' ' ' ILE . 26.5 p-90 -78.54 155.98 29.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.895 0.378 . . . . 0.0 111.239 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -131.82 162.19 57.92 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.61 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.39 136.9 70.94 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.421 2.081 . . . . 0.0 112.213 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -136.29 -175.77 4.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.907 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -75.11 -36.68 61.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.055 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.403 ' O ' HD13 ' A' ' 104' ' ' LEU . 0.4 OUTLIER -69.03 -29.25 67.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -64.53 -57.48 9.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.848 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.0 mt -61.8 -37.62 78.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.984 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -47.11 85.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.923 HD23 ' CZ2' ' A' ' 108' ' ' TRP . 7.3 mp -67.54 -42.32 82.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.05 -33.92 74.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -73.19 -39.06 65.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.132 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 17.2 tp -81.39 -29.96 33.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.805 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.923 ' CZ2' HD23 ' A' ' 104' ' ' LEU . 43.8 m0 -68.16 -13.33 62.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.314 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 97.16 42.9 3.14 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.59 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 17.2 t -116.3 110.71 32.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 0.0 111.084 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -111.03 124.38 52.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.1 mp -121.89 142.43 50.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.71 -31.26 36.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.862 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.32 157.87 75.75 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.23 -179.2 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.544 2.163 . . . . 0.0 112.299 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.817 HG23 ' OE1' ' A' ' 120' ' ' GLU . 9.6 p -94.82 145.99 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.043 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.63 165.94 11.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 15.2 p -60.28 -35.97 76.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -61.67 -31.48 71.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.817 ' OE1' HG23 ' A' ' 116' ' ' VAL . 6.6 tt0 -69.77 -48.98 57.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.811 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.488 ' O ' HD12 ' A' ' 125' ' ' ILE . 1.5 mp -68.99 -41.73 77.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.786 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.0 -39.51 92.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.049 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.3 m -65.31 -49.91 67.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.81 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -60.23 -46.08 91.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.488 HD12 ' O ' ' A' ' 121' ' ' LEU . 10.4 mt -69.51 -32.77 54.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.016 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.53 -54.12 50.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.03 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -67.77 -33.8 75.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' TRP . . . . . 0.506 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 10.6 t-105 -67.67 -39.9 84.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.777 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -75.95 -35.33 59.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.954 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -76.11 -31.43 58.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -66.19 -45.48 80.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 59.51 34.44 81.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.424 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -111.06 -163.85 0.88 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.669 0.271 . . . . 0.0 110.824 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.492 HG13 ' N ' ' A' ' 90' ' ' ALA . 3.9 t -133.82 141.94 42.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.047 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.506 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 9.8 m-85 -129.68 162.58 28.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.966 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' HIS . . . . . 0.419 ' CE1' ' HA ' ' A' ' 88' ' ' MET . 8.9 m-70 -97.84 179.04 4.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.681 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' HIS . . . . . 0.589 ' CE1' HG23 ' A' ' 138' ' ' VAL . 33.1 p-80 -68.34 -47.46 67.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.743 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.589 HG23 ' CE1' ' A' ' 137' ' ' HIS . 39.6 t -69.28 -36.97 74.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.946 0.403 . . . . 0.0 110.771 179.505 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -69.12 -36.89 77.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.961 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 15.8 t90 -66.68 -45.02 80.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.458 ' HB3' ' CZ2' ' A' ' 108' ' ' TRP . 3.8 pt20 -70.52 -30.04 66.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.043 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -78.41 -48.19 15.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.229 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -41.03 96.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.118 -179.71 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.9 tt -69.83 -48.12 60.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -60.74 -56.89 15.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.196 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -60.74 -30.0 69.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.05 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.3 m -66.77 -52.71 41.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.061 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 29.8 mt -64.76 -29.1 70.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.996 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -67.93 -50.59 55.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.03 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 27.0 pt -69.95 -32.37 51.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.095 0.474 . . . . 0.0 111.236 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -64.39 -53.79 33.67 Favored Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.451 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.7 -35.25 78.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.803 0.335 . . . . 0.0 110.836 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -71.3 -35.34 71.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 53.8 p -78.37 -31.27 48.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 1.7 t30 60.81 97.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -113.03 -27.33 3.75 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.528 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -74.95 -85.05 0.31 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.521 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 8.7 mp -61.39 137.2 94.53 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 120.595 0.236 . . . . 0.0 110.86 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.13 -172.24 1.3 Allowed 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.487 2.125 . . . . 0.0 112.365 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.66 -32.69 6.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.71 179.61 7.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 162' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.68 138.88 46.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 163' ' ' VAL . . . . . 0.409 HG23 ' N ' ' A' ' 164' ' ' ASN . 5.8 m -133.62 -46.47 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.096 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 164' ' ' ASN . . . . . 0.409 ' N ' HG23 ' A' ' 163' ' ' VAL . 1.8 t30 -110.3 163.42 13.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 1.1 m -76.18 105.13 7.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 21.4 t -69.56 -59.0 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.168 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 3.1 m 60.65 98.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.994 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 59.88 161.68 0.1 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.1 -172.08 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.661 2.241 . . . . 0.0 112.243 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -144.83 114.12 7.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 14.0 t -139.04 -46.2 0.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 172' ' ' GLN . . . . . 0.425 ' O ' HD13 ' A' ' 173' ' ' ILE . 1.6 mm-40 -72.83 119.21 16.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 173' ' ' ILE . . . . . 0.425 HD13 ' O ' ' A' ' 172' ' ' GLN . 28.8 mm -124.27 95.92 42.69 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.079 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -45.62 101.11 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.742 2.295 . . . . 0.0 112.532 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -64.65 115.86 3.46 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.659 2.239 . . . . 0.0 112.159 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 128.03 -162.68 21.8 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.465 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.99 168.65 7.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.844 0.354 . . . . 0.0 110.864 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 14.6 mtp180 -119.36 107.97 14.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.518 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.551 ' HB3' HG12 ' A' ' 134' ' ' VAL . 2.5 mmt . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.787 0.327 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -150.92 106.31 3.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.99 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.494 ' N ' HG13 ' A' ' 134' ' ' VAL . . . -83.67 110.48 18.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.042 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.44 -165.04 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -123.11 158.52 57.59 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.269 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -84.68 23.27 0.85 Allowed 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.641 2.227 . . . . 0.0 113.113 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.21 11.86 18.85 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.62 0.23 . . . . 0.0 111.62 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 67.7 p-90 -71.42 131.46 43.39 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 120.896 0.379 . . . . 0.0 111.064 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -110.41 151.02 42.42 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.97 160.74 48.42 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.542 2.161 . . . . 0.0 112.299 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -176.51 -169.81 0.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.913 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.1 -31.89 70.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -59.67 -31.11 69.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.94 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -64.06 -41.2 97.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 17.1 mt -73.68 -34.67 41.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.014 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.77 -41.85 82.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.598 HD13 ' CZ2' ' A' ' 108' ' ' TRP . 16.2 mt -72.3 -43.8 63.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.93 90.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -73.73 -31.25 63.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.148 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 20.2 tp -81.51 -30.64 33.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.793 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.598 ' CZ2' HD13 ' A' ' 104' ' ' LEU . 46.2 m0 -74.22 -13.29 60.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.336 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 108.61 37.53 2.05 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.416 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.701 HG12 HD12 ' A' ' 112' ' ' LEU . 21.3 t -139.98 111.08 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.785 0.326 . . . . 0.0 111.106 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -112.59 110.2 20.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.701 HD12 HG12 ' A' ' 110' ' ' VAL . 1.7 mp -113.59 159.94 19.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.823 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.45 -45.22 9.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -108.02 155.32 40.25 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.69 179.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.565 2.177 . . . . 0.0 112.377 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.538 HG11 HD21 ' A' ' 121' ' ' LEU . 12.5 p -77.83 152.17 5.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.176 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.413 ' O ' HD23 ' A' ' 121' ' ' LEU . 59.3 p -83.82 149.43 26.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.857 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.2 t -68.86 -30.81 69.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -59.19 -48.16 82.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.78 -30.59 69.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.538 HD21 HG11 ' A' ' 116' ' ' VAL . 1.8 mm? -62.4 -57.93 9.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.799 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.83 -39.91 95.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.4 t -59.74 -44.6 93.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.505 ' CZ ' HD12 ' A' ' 144' ' ' LEU . 0.9 OUTLIER -61.45 -48.41 81.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.999 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 53.9 mt -65.75 -32.26 57.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.0 -44.38 96.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.125 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -75.46 -32.15 60.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' TRP . . . . . 0.487 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 12.8 t-105 -69.44 -40.57 77.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -75.0 -36.64 61.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -76.84 -31.51 56.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.012 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -63.73 -45.46 89.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 59.45 35.32 84.81 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.516 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.46 -164.57 1.04 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.81 0.338 . . . . 0.0 110.785 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.551 HG12 ' HB3' ' A' ' 88' ' ' MET . 4.1 t -132.81 141.96 43.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.974 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.487 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 8.0 m-85 -130.27 149.84 51.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -82.99 -179.13 7.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.723 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' HIS . . . . . 0.509 ' NE2' HG23 ' A' ' 138' ' ' VAL . 57.3 p-80 -70.52 -40.94 73.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.728 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.509 HG23 ' NE2' ' A' ' 137' ' ' HIS . 21.4 t -70.3 -35.04 60.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.041 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -70.56 -36.43 73.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -67.8 -46.4 72.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.78 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.442 ' HB2' ' CG ' ' A' ' 108' ' ' TRP . 3.9 pt20 -65.51 -41.59 93.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -66.7 -42.22 86.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.53 -49.99 73.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.505 HD12 ' CZ ' ' A' ' 124' ' ' PHE . 0.1 OUTLIER -66.18 -35.93 81.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 0.423 ' HA ' HG21 ' A' ' 110' ' ' VAL . . . -69.12 -48.73 61.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.189 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.1 -30.38 71.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.001 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 20.5 m -72.58 -44.43 62.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.046 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.442 HD12 ' O ' ' A' ' 144' ' ' LEU . 5.4 mt -74.76 -38.06 62.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.96 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.83 -54.83 7.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.961 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 26.7 mt -73.11 -19.58 18.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.346 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -77.86 -46.08 9.91 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.486 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.3 -30.08 34.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.795 0.331 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.41 -42.59 87.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.223 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.3 p -104.4 -31.34 9.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 61.22 156.65 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -148.19 -67.99 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.504 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 104.48 117.63 4.37 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.475 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.423 ' N ' ' CD ' ' A' ' 159' ' ' PRO . 0.2 OUTLIER -84.57 -51.68 0.55 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.661 0.267 . . . . 0.0 111.013 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 159' ' ' PRO . . . . . 0.423 ' CD ' ' N ' ' A' ' 158' ' ' LEU . 31.3 Cg_exo -59.15 88.6 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.507 2.138 . . . . 0.0 112.228 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -119.39 123.42 44.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -122.37 114.22 20.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 162' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -110.94 136.16 50.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 163' ' ' VAL . . . . . 0.4 ' O ' HG23 ' A' ' 163' ' ' VAL . 6.1 m -144.6 110.53 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -176.76 61.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 59.47 38.56 22.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 21.4 t -97.63 -30.22 3.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.247 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 23.0 t -169.08 -163.8 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.801 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 168' ' ' GLU . . . . . 0.462 ' CB ' ' CD ' ' A' ' 169' ' ' PRO . 0.3 OUTLIER -162.36 -65.11 0.02 OUTLIER Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.907 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 169' ' ' PRO . . . . . 0.462 ' CD ' ' CB ' ' A' ' 168' ' ' GLU . 46.6 Cg_endo -68.27 153.64 73.96 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.458 2.105 . . . . 0.0 112.205 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -102.7 130.6 49.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.37 -179.83 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.929 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.29 66.33 0.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 3.5 pt -65.8 141.44 97.7 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.199 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -73.65 111.69 3.35 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.512 2.142 . . . . 0.0 112.392 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -57.85 -161.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.357 2.038 . . . . 0.0 112.223 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . -132.32 -70.69 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.51 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 59.95 160.48 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.79 0.328 . . . . 0.0 110.931 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 2.2 mmt-85 -127.89 -45.51 1.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.815 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.393 -1.226 . . . . 0.0 112.46 179.984 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.689 ' HB3' HG12 ' A' ' 134' ' ' VAL . 2.2 mtt . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.763 0.316 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -132.89 107.0 8.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.007 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.546 ' N ' HG13 ' A' ' 134' ' ' VAL . . . -87.41 110.56 20.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.193 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 22.7 ptp -101.65 -168.12 1.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.769 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.421 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 10.4 p90 -116.53 150.59 45.81 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.664 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 92' ' ' TYR . 3.5 Cg_endo -85.36 35.93 0.53 Allowed 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 122.877 2.384 . . . . 0.0 112.646 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -113.17 20.32 16.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.194 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.451 ' CZ2' HG12 ' A' ' 125' ' ' ILE . 26.0 p-90 -84.72 148.75 26.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.815 0.341 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -116.39 142.4 29.4 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.55 152.89 15.2 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.464 2.11 . . . . 0.0 112.246 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -164.6 -174.45 3.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.77 -37.24 81.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.166 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.57 -32.89 70.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.957 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -60.22 -53.62 55.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 10.8 mt -70.93 -34.83 57.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.054 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.39 -48.84 73.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.8 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.602 HD22 ' CE2' ' A' ' 108' ' ' TRP . 12.4 mt -66.45 -43.01 86.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.34 -44.6 95.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.04 -36.52 83.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.039 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 20.1 tp -81.46 -31.64 32.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.733 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.602 ' CE2' HD22 ' A' ' 104' ' ' LEU . 47.2 m0 -69.67 -13.5 62.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.278 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 109.25 28.55 4.33 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.433 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.4 t -129.3 110.69 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.731 0.3 . . . . 0.0 111.114 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -114.57 106.71 14.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.3 mt -115.18 114.76 25.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.944 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.23 -44.17 89.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.84 144.94 56.53 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.6 -177.68 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.516 2.144 . . . . 0.0 112.258 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 12.6 p -90.76 134.33 29.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 7.3 p -78.39 148.35 33.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.3 t -72.21 -34.14 68.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -66.42 -36.97 84.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -69.13 -44.21 72.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 6.4 mt -64.44 -51.04 65.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.947 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.52 -35.85 76.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 23.3 t -65.9 -41.14 91.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.43 ' CZ ' ' HG ' ' A' ' 144' ' ' LEU . 6.7 t80 -65.13 -53.29 47.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.451 HG12 ' CZ2' ' A' ' 95' ' ' TRP . 6.1 mt -60.39 -37.37 74.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.055 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.29 -55.73 31.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.086 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -65.23 -29.78 70.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' TRP . . . . . 0.501 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 8.4 t-105 -72.53 -41.18 66.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -74.81 -34.91 62.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.924 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -78.35 -30.92 48.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -67.7 -45.95 73.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.977 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 61.86 33.45 85.44 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.37 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.68 -161.9 0.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.763 0.316 . . . . 0.0 110.757 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.689 HG12 ' HB3' ' A' ' 88' ' ' MET . 3.7 t -142.09 141.96 28.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.945 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.501 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 5.2 m-85 -135.03 159.3 41.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.92 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' HIS . . . . . 0.429 ' CE1' ' HA ' ' A' ' 88' ' ' MET . 3.9 m-70 -95.44 174.83 6.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.739 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' HIS . . . . . 0.55 ' NE2' HG23 ' A' ' 138' ' ' VAL . 35.8 p-80 -61.17 -47.7 84.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.628 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.55 HG23 ' NE2' ' A' ' 137' ' ' HIS . 31.7 t -71.83 -33.82 49.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.617 179.387 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.74 -33.58 72.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.65 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -71.13 -49.66 41.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.448 ' HB2' ' CD2' ' A' ' 108' ' ' TRP . 6.5 pt20 -66.67 -36.13 81.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.915 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' GLN . . . . . 0.456 ' OE1' HG12 ' A' ' 138' ' ' VAL . 82.9 mt-30 -75.77 -47.56 25.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.027 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 23.0 tttt -60.85 -49.79 76.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.961 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.43 ' HG ' ' CZ ' ' A' ' 124' ' ' PHE . 1.7 tt -61.53 -52.43 64.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -59.11 -49.61 77.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.107 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -65.9 -29.31 69.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.015 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 11.4 m -72.19 -41.92 66.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 79.0 mt -72.55 -34.54 67.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -74.27 -53.48 9.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 38.0 mt -73.98 -18.81 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.388 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -80.55 -44.68 8.4 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.506 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.94 -40.87 75.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.778 0.323 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -65.92 -31.03 71.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.8 m -91.45 -31.28 16.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.967 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -92.02 137.26 32.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -153.97 43.03 0.61 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.489 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 119.13 -84.78 0.38 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.474 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.467 ' O ' HD12 ' A' ' 158' ' ' LEU . 0.6 OUTLIER -132.26 66.08 76.43 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.311 . . . . 0.0 110.861 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.5 154.32 55.31 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.61 2.207 . . . . 0.0 112.331 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -143.91 76.0 1.49 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.826 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 2.9 ptp180 -78.25 166.82 22.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 162' ' ' ASP . . . . . 0.525 ' HB2' HG11 ' A' ' 166' ' ' VAL . 14.7 p-10 -118.86 102.12 8.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 16.6 m -147.69 31.03 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -146.47 120.91 9.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 165' ' ' THR . . . . . 0.546 ' O ' HG22 ' A' ' 165' ' ' THR . 24.1 m 60.5 30.52 19.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.525 HG11 ' HB2' ' A' ' 162' ' ' ASP . 3.1 m -101.23 84.36 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.104 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 2.0 m -149.85 62.43 0.99 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -136.33 87.13 22.95 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.78 123.52 9.84 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.568 2.179 . . . . 0.0 112.365 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 59.66 164.15 0.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.974 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 22.8 t -101.35 124.39 46.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -74.0 65.61 1.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 5.4 pt -66.77 120.24 69.77 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.162 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.63 153.92 22.15 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.4 2.067 . . . . 0.0 112.27 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -52.78 168.57 0.46 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.511 2.14 . . . . 0.0 112.262 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . -153.23 65.21 0.34 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.476 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -145.41 30.93 1.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.876 0.369 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.12 144.1 12.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.547 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.781 0.324 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -147.13 114.05 6.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.939 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.465 ' N ' HG13 ' A' ' 134' ' ' VAL . . . -69.58 -179.93 1.89 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.019 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 11.3 mtm -151.17 -174.52 4.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.788 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 14.2 p90 -109.18 146.31 33.62 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.551 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -83.3 33.01 0.51 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.674 2.249 . . . . 0.0 112.934 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.4 -16.9 12.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.274 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 42.1 p-90 -49.24 146.64 3.57 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.868 0.365 . . . . 0.0 111.458 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.79 165.33 37.37 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.766 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.528 ' HD3' HD21 ' A' ' 121' ' ' LEU . 37.4 Cg_endo -66.05 148.64 85.76 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.485 2.123 . . . . 0.0 112.258 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.38 -168.88 2.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.92 -46.69 80.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.056 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -59.3 -31.26 68.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -61.27 -48.93 79.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 29.8 mm -72.53 -31.21 36.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.51 -52.35 40.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.457 HD22 ' CZ2' ' A' ' 108' ' ' TRP . 21.1 mt -61.76 -45.04 95.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.53 -46.81 87.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.163 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.27 -34.52 77.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 17.5 tp -81.42 -31.89 32.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.723 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.457 ' CZ2' HD22 ' A' ' 104' ' ' LEU . 45.5 m0 -70.53 -13.34 62.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.322 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 107.98 32.17 3.38 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.516 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.5 t -119.83 110.74 30.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 111.122 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -101.76 107.65 18.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.059 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.416 HD23 ' HD3' ' A' ' 152' ' ' ARG . 0.5 OUTLIER -117.5 121.61 41.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 11.1 mtt85 -85.75 -58.72 2.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -74.78 150.74 86.48 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.04 179.24 0.04 OUTLIER 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.605 2.204 . . . . 0.0 112.306 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 10.8 p -89.95 153.05 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.084 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 18.3 p -106.7 149.75 26.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.9 t -71.47 -32.01 67.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.94 -38.94 93.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -63.91 -46.69 83.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.528 HD21 ' HD3' ' A' ' 97' ' ' PRO . 1.7 mp -63.79 -49.4 73.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -58.75 -30.04 67.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.16 -45.32 60.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.962 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.718 ' CZ ' HD12 ' A' ' 144' ' ' LEU . 7.9 t80 -66.95 -47.34 71.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.983 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 54.6 mt -65.53 -32.62 59.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.975 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.09 -50.05 67.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.018 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.44 ' CD2' ' HG3' ' A' ' 131' ' ' GLU . 34.9 t80 -72.83 -31.23 64.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.828 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' TRP . . . . . 0.501 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 4.6 t-105 -62.47 -47.73 82.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.714 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -73.97 -43.18 59.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.53 -30.66 71.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.44 ' HG3' ' CD2' ' A' ' 127' ' ' TYR . 0.2 OUTLIER -63.18 -44.27 95.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 65.25 32.61 84.34 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.462 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -120.68 -166.02 1.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.84 0.352 . . . . 0.0 110.776 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.465 HG13 ' N ' ' A' ' 90' ' ' ALA . 12.6 t -139.04 145.36 27.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.106 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.501 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 4.5 m-85 -130.55 149.39 52.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -77.43 177.94 7.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.813 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 20.9 m170 -61.77 -60.43 3.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.973 0.416 . . . . 0.0 110.823 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 31.9 t -57.39 -34.47 46.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.931 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -64.56 -32.16 73.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.73 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -74.08 -40.81 62.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.79 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.407 ' HG2' ' CZ2' ' A' ' 108' ' ' TRP . 28.1 mt-30 -62.1 -46.41 89.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.95 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.81 -36.09 64.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.02 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -62.72 -53.88 47.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.98 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.718 HD12 ' CZ ' ' A' ' 124' ' ' PHE . 0.1 OUTLIER -67.04 -46.52 74.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.997 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -59.45 -57.97 10.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.193 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 16.5 ttt180 -58.46 -31.5 67.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -64.87 -52.66 55.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.92 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 15.6 mt -69.1 -28.07 66.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.95 -57.82 11.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 31.9 pt -72.58 -32.82 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.068 0.461 . . . . 0.0 111.255 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -64.74 -46.16 90.58 Favored Glycine 0 N--CA 1.451 -0.34 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.549 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' ARG . . . . . 0.416 ' HD3' HD23 ' A' ' 112' ' ' LEU . 11.3 ttp-105 -67.72 -28.16 67.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.791 0.329 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -79.97 -53.25 6.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.197 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.14 -41.79 99.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.949 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -135.85 127.56 29.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -162.16 40.0 0.38 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.559 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -139.87 -77.47 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.612 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.468 ' N ' ' HD2' ' A' ' 159' ' ' PRO . 0.2 OUTLIER 179.68 -60.43 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 120.579 0.228 . . . . 0.0 111.122 -179.91 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 159' ' ' PRO . . . . . 0.468 ' HD2' ' N ' ' A' ' 158' ' ' LEU . 18.3 Cg_endo -59.91 177.23 0.53 Allowed 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.419 2.079 . . . . 0.0 112.215 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.58 124.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 25.2 ttt-85 62.82 41.86 8.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.813 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 162' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -126.65 119.51 27.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 163' ' ' VAL . . . . . 0.755 HG11 ' CG1' ' A' ' 166' ' ' VAL . 13.1 p -78.8 152.67 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -77.75 67.11 3.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.787 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 63.81 129.72 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.755 ' CG1' HG11 ' A' ' 163' ' ' VAL . 10.1 p -177.58 -38.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.237 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 2.6 m -98.79 40.43 1.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.026 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 168' ' ' GLU . . . . . 0.41 ' CB ' ' HD3' ' A' ' 169' ' ' PRO . 1.1 tt0 -87.81 -52.54 0.39 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 169' ' ' PRO . . . . . 0.41 ' HD3' ' CB ' ' A' ' 168' ' ' GLU . 46.8 Cg_exo -55.97 112.58 1.11 Allowed 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.486 2.124 . . . . 0.0 112.262 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -108.73 131.81 54.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.67 177.24 5.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.972 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -144.49 100.72 3.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 1.3 pt -66.64 160.7 66.04 Favored Pre-proline 0 N--CA 1.452 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.241 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_exo -56.28 170.39 1.2 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.607 2.205 . . . . 0.0 112.103 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -62.94 178.56 1.0 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.501 2.134 . . . . 0.0 112.247 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . -57.86 136.16 51.08 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.646 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -161.23 142.1 11.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.885 0.374 . . . . 0.0 110.813 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 61.31 -174.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.801 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.388 -1.229 . . . . 0.0 112.511 -179.992 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.726 ' HB3' HG12 ' A' ' 134' ' ' VAL . 3.5 mpp? . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.823 0.344 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -137.04 108.61 6.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.498 ' N ' HG13 ' A' ' 134' ' ' VAL . . . -75.06 109.17 8.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.211 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 24.7 ptm -99.44 -168.63 1.64 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.808 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.43 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 14.0 p90 -118.16 144.16 34.35 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.617 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 92' ' ' TYR . 1.7 Cg_endo -82.51 35.03 0.56 Allowed 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.886 2.391 . . . . 0.0 112.752 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.11 19.74 16.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.644 0.259 . . . . 0.0 111.14 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.433 ' CZ2' HG12 ' A' ' 125' ' ' ILE . 17.1 p-90 -78.89 146.97 33.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.038 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -107.65 148.53 37.47 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.05 148.64 57.16 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.562 2.174 . . . . 0.0 112.274 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -159.16 -175.93 5.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.82 -30.4 68.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.099 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -59.63 -30.82 68.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.63 -58.73 7.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 6.8 mt -66.41 -33.31 62.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.036 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -54.4 42.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.757 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.761 HD13 ' CZ2' ' A' ' 108' ' ' TRP . 14.6 mt -64.39 -43.09 95.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.843 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.36 -35.69 74.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.011 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.69 93.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 18.6 tp -81.45 -29.25 33.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.721 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.761 ' CZ2' HD13 ' A' ' 104' ' ' LEU . 40.7 m0 -68.22 -13.52 62.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.259 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 108.91 40.87 1.5 Allowed Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.508 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.4 t -150.71 110.66 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.857 0.36 . . . . 0.0 111.08 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -97.25 111.13 23.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.3 mt -112.06 108.57 17.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -87.69 -38.5 15.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -97.2 158.45 33.25 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.979 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.68 151.54 19.03 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.515 2.143 . . . . 0.0 112.289 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 10.9 p -79.83 140.89 16.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.31 147.63 53.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 60.8 m -72.41 -39.96 67.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.043 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -57.12 -34.98 68.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.416 ' OE2' HD13 ' A' ' 148' ' ' LEU . 0.0 OUTLIER -66.76 -51.98 49.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 6.7 mp -60.52 -50.19 74.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.39 -38.38 80.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.08 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.1 m -69.66 -31.42 69.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.425 ' CZ ' HD12 ' A' ' 144' ' ' LEU . 0.3 OUTLIER -66.26 -58.29 5.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.433 HG12 ' CZ2' ' A' ' 95' ' ' TRP . 10.5 mt -64.35 -29.9 48.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.056 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.28 -48.71 72.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -72.6 -31.46 65.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 6.4 t-105 -67.83 -48.81 65.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.769 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.95 -31.5 64.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -78.15 -30.64 49.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -72.17 -44.91 62.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 60.82 36.57 92.16 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.45 -163.69 0.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.75 0.31 . . . . 0.0 110.726 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.726 HG12 ' HB3' ' A' ' 88' ' ' MET . 3.4 t -133.72 142.04 42.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -135.02 151.0 50.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.035 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' HIS . . . . . 0.443 ' CE1' ' N ' ' A' ' 88' ' ' MET . 0.1 OUTLIER -87.29 -171.75 3.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.74 179.759 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -71.3 -51.06 26.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.781 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 27.7 t -62.76 -38.13 80.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.132 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -65.77 -31.96 73.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.721 ' CZ3' HD13 ' A' ' 144' ' ' LEU . 0.8 OUTLIER -72.63 -39.55 67.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.997 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.448 ' HG2' ' CE2' ' A' ' 108' ' ' TRP . 34.2 mt-30 -63.14 -49.68 73.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.07 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -66.97 -34.44 77.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.25 -54.22 40.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.982 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.721 HD13 ' CZ3' ' A' ' 140' ' ' TRP . 0.1 OUTLIER -62.37 -34.72 77.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.1 -179.906 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -71.67 -59.96 2.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.245 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.475 HH21 HG23 ' A' ' 150' ' ' ILE . 0.7 OUTLIER -58.97 -29.89 67.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.036 -179.901 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 32.7 t -69.97 -48.46 58.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.008 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.555 HD23 ' O ' ' A' ' 144' ' ' LEU . 4.1 mm? -67.02 -29.61 69.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.985 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -71.84 -57.85 3.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.958 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.475 HG23 HH21 ' A' ' 146' ' ' ARG . 1.7 pp -60.8 -28.36 43.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.355 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -72.07 -51.75 13.33 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.532 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -59.87 -31.14 69.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.899 0.38 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -77.3 -47.35 20.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.69 -37.86 87.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.82 129.69 43.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.919 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 90.36 44.21 4.72 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.484 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 136.06 99.21 0.56 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.566 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.414 ' CB ' ' CD ' ' A' ' 159' ' ' PRO . 0.8 OUTLIER -69.49 -61.21 3.34 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.607 0.242 . . . . 0.0 110.973 -179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 159' ' ' PRO . . . . . 0.414 ' CD ' ' CB ' ' A' ' 158' ' ' LEU . 49.8 Cg_endo -68.86 155.04 69.9 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.484 2.123 . . . . 0.0 112.29 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 18.5 mtmm 60.55 158.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -112.21 129.87 56.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 162' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -107.77 113.64 27.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.823 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 163' ' ' VAL . . . . . 0.403 HG23 ' N ' ' A' ' 164' ' ' ASN . 15.5 m -114.27 -43.63 4.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.131 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 164' ' ' ASN . . . . . 0.403 ' N ' HG23 ' A' ' 163' ' ' VAL . 2.0 m-80 53.04 73.7 0.34 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 8.6 p 55.64 102.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.992 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 21.8 t -141.65 -61.12 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.219 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.82 -179.32 3.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -100.0 107.48 47.08 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -68.67 82.61 0.54 Allowed 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.338 2.025 . . . . 0.0 112.29 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -142.79 104.23 4.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.05 -176.8 5.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -96.81 174.46 6.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 3.8 mp -96.56 101.51 9.2 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -68.4 127.65 16.04 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.395 2.063 . . . . 0.0 112.2 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -73.24 61.55 4.12 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.474 2.116 . . . . 0.0 112.272 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 111.28 -132.23 10.78 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.537 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -139.59 171.16 14.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.819 0.342 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -172.26 157.1 4.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.843 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.356 -1.246 . . . . 0.0 112.526 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.692 ' HB3' HG12 ' A' ' 134' ' ' VAL . 1.9 mtp . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.835 0.35 . . . . 0.0 111.133 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.405 ' H ' HG12 ' A' ' 134' ' ' VAL . 1.5 m-85 -157.46 112.84 2.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.542 ' N ' HG13 ' A' ' 134' ' ' VAL . . . -94.55 -179.91 5.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.946 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -167.84 -161.94 0.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.41 ' HB2' ' HD2' ' A' ' 93' ' ' PRO . 0.2 OUTLIER -132.58 163.02 53.67 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.23 179.885 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.41 ' HD2' ' HB2' ' A' ' 92' ' ' TYR . 91.0 Cg_endo -81.65 21.95 0.88 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.559 2.173 . . . . 0.0 113.118 -179.708 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -113.21 19.49 17.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.562 0.22 . . . . 0.0 111.326 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 68.9 p-90 -74.53 143.07 44.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.842 0.353 . . . . 0.0 110.999 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -104.96 142.19 24.12 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.67 158.87 52.46 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.588 2.192 . . . . 0.0 112.256 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -162.73 -178.79 6.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.36 -27.68 62.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.247 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.14 -30.18 61.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.983 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -61.97 -58.49 7.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.5 mt -67.33 -36.76 77.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.199 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.73 -45.98 92.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.832 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.798 HD23 ' CZ2' ' A' ' 108' ' ' TRP . 6.2 mp -73.45 -42.84 61.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.4 -38.95 91.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.17 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -67.41 -36.26 80.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 16.1 tp -81.53 -31.28 32.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.838 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.798 ' CZ2' HD23 ' A' ' 104' ' ' LEU . 54.1 m0 -73.06 -13.51 61.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.33 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 106.71 41.15 1.76 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.537 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 18.3 t -142.07 110.67 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.356 . . . . 0.0 111.072 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -91.16 108.33 19.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.9 mt -102.32 121.34 42.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.832 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -108.81 -38.94 5.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -106.06 140.53 21.34 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.86 153.64 19.34 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.389 2.059 . . . . 0.0 112.206 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.63 HG11 HD13 ' A' ' 121' ' ' LEU . 12.4 p -80.32 139.07 18.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.024 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 43.8 p -65.4 154.78 37.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.5 -39.1 81.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.949 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -60.07 -35.25 74.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.82 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -72.73 -46.12 55.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.63 HD13 HG11 ' A' ' 116' ' ' VAL . 3.8 tp -66.36 -43.53 85.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.48 -39.78 95.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.9 t -67.3 -34.97 78.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -69.54 -45.1 69.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.978 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 17.3 mt -67.03 -44.06 88.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.02 -48.21 80.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.21 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -66.81 -30.8 71.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' TRP . . . . . 0.466 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 1.6 t-105 -67.94 -50.98 52.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.768 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -73.85 -31.49 63.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.22 -31.06 67.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.101 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.72 -38.68 77.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 59.02 40.86 96.04 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.453 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -118.37 -167.72 1.41 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.879 0.371 . . . . 0.0 110.711 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.692 HG12 ' HB3' ' A' ' 88' ' ' MET . 3.5 t -144.28 142.09 24.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.466 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 0.2 OUTLIER -139.89 161.33 37.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.808 -179.907 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 136' ' ' HIS . . . . . 0.441 ' CD2' ' HG3' ' A' ' 88' ' ' MET . 28.3 m-70 -79.7 -178.02 6.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.767 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 56.6 p-80 -70.98 -39.24 72.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.73 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 28.3 t -66.82 -35.79 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.929 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.51 -38.75 77.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.799 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.717 ' CH2' HD13 ' A' ' 144' ' ' LEU . 22.2 t90 -63.61 -44.55 93.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.689 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.47 ' HB3' ' CZ2' ' A' ' 108' ' ' TRP . 3.9 pt20 -68.22 -42.7 79.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.996 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -66.38 -51.75 53.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.028 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.84 -54.14 49.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.267 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.717 HD13 ' CH2' ' A' ' 140' ' ' TRP . 0.2 OUTLIER -59.61 -49.65 76.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.137 -179.834 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -58.59 -60.05 4.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.286 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.414 ' O ' HG12 ' A' ' 150' ' ' ILE . 5.6 mtm-85 -57.71 -31.75 66.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.719 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.3 m -59.36 -51.05 71.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.751 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 12.1 mt -63.27 -35.14 79.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.481 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.85 -57.85 6.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.835 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.414 HG12 ' O ' ' A' ' 146' ' ' ARG . 17.9 mm -69.39 -20.7 24.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.329 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -69.4 -52.33 22.32 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.547 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -31.32 72.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.799 0.333 . . . . 0.0 110.887 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -65.84 -45.85 80.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.17 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 45.4 p -63.04 -36.84 84.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -146.45 130.86 17.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -172.68 56.12 0.16 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.548 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -125.44 -121.11 2.5 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.425 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.404 ' CB ' ' HD3' ' A' ' 159' ' ' PRO . 0.1 OUTLIER 178.82 -52.4 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 120.525 0.202 . . . . 0.0 111.089 179.847 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 159' ' ' PRO . . . . . 0.404 ' HD3' ' CB ' ' A' ' 158' ' ' LEU . 31.3 Cg_exo -59.26 86.67 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.43 2.086 . . . . 0.0 112.252 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.85 95.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -128.48 100.35 5.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 162' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -137.87 118.45 13.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 163' ' ' VAL . . . . . 0.444 HG23 ' N ' ' A' ' 164' ' ' ASN . 11.4 m -135.56 -47.29 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.141 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 164' ' ' ASN . . . . . 0.444 ' N ' HG23 ' A' ' 163' ' ' VAL . 15.1 m-20 -98.27 166.16 11.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.866 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.71 32.97 18.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 21.4 t -112.75 -36.5 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.206 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 25.7 p -171.76 169.84 5.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.58 72.78 20.38 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.0 127.78 26.36 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.549 2.166 . . . . 0.0 112.302 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -143.85 96.69 2.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 19.9 m -124.76 127.42 47.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 60.39 170.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 32.4 mt -131.64 84.88 53.76 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.71 122.58 8.99 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.584 2.189 . . . . 0.0 112.228 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -68.43 -176.94 1.26 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.407 2.071 . . . . 0.0 112.28 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . -59.67 177.83 2.64 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.466 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -82.65 143.23 31.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.869 0.366 . . . . 0.0 110.905 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -87.6 100.59 12.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.364 -1.242 . . . . 0.0 112.534 179.94 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.506 ' HB3' HG12 ' A' ' 134' ' ' VAL . 36.3 mtm . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 120.784 0.326 . . . . 0.0 111.261 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -159.39 102.14 1.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.459 ' HB2' HG13 ' A' ' 134' ' ' VAL . . . -81.07 -179.93 7.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.075 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 4.2 ptp -163.68 -157.27 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.705 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.45 ' O ' ' HD1' ' A' ' 95' ' ' TRP . 4.1 p90 -118.01 156.76 49.91 Favored Pre-proline 0 C--N 1.331 -0.237 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 179.599 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -79.75 18.18 1.17 Allowed 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.545 2.163 . . . . 0.0 113.361 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -113.18 22.77 13.98 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.551 0.204 . . . . 0.0 111.551 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.45 ' HD1' ' O ' ' A' ' 92' ' ' TYR . 66.7 p-90 -74.65 116.74 15.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.853 0.358 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -136.62 92.16 15.22 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -82.91 173.39 10.25 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.792 2.328 . . . . 0.0 112.501 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -131.29 -79.8 0.52 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.712 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -88.21 -34.06 17.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.095 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -59.18 -35.43 73.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.981 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -59.94 -57.13 14.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 33.8 mm -65.23 -30.42 50.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.021 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -49.38 62.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 14.0 mt -67.65 -43.15 80.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.57 87.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.042 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.13 -42.23 99.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 20.7 tp -81.45 -28.82 34.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.725 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.442 ' CD2' ' HB2' ' A' ' 141' ' ' GLN . 28.3 m0 -68.1 -13.36 62.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.373 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 108.97 38.16 1.9 Allowed Glycine 0 C--N 1.332 0.326 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.559 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.536 HG12 ' HG ' ' A' ' 112' ' ' LEU . 21.9 t -140.89 110.68 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.817 0.341 . . . . 0.0 111.079 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -91.5 99.63 12.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.088 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.536 ' HG ' HG12 ' A' ' 110' ' ' VAL . 66.5 mt -120.68 148.02 44.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -118.89 -45.44 2.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -84.7 148.92 52.84 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.58 172.65 0.16 Allowed 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.609 2.206 . . . . 0.0 112.306 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.503 HG11 HD21 ' A' ' 121' ' ' LEU . 11.6 p -91.52 131.99 37.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 37.1 p -65.31 154.48 38.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.6 t -67.01 -30.51 70.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.949 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -58.23 -35.02 71.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.928 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -74.14 -48.29 30.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.503 HD21 HG11 ' A' ' 116' ' ' VAL . 3.7 mm? -64.36 -40.18 95.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.51 ' O ' ' HB2' ' A' ' 126' ' ' ALA . . . -69.71 -38.56 76.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.8 m -68.89 -47.2 66.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -61.24 -53.76 52.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 39.7 mt -64.3 -30.7 50.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.987 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' A' ' 122' ' ' ALA . . . -62.8 -56.13 20.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.034 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -67.88 -31.44 71.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.779 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' TRP . . . . . 0.461 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 8.7 t-105 -63.66 -47.59 80.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.718 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -30.92 61.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.83 -33.11 62.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -67.44 -47.44 70.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 66.77 39.47 93.59 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.498 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.54 -164.91 1.31 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.761 0.315 . . . . 0.0 110.755 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.506 HG12 ' HB3' ' A' ' 88' ' ' MET . 12.2 t -131.71 142.08 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.142 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.461 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 8.0 m-85 -129.38 150.56 50.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' HIS . . . . . 0.412 ' CG ' ' HA ' ' A' ' 88' ' ' MET . 0.3 OUTLIER -79.1 164.91 23.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.896 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -65.12 -39.9 93.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 21.8 t -67.82 -43.25 86.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.079 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -62.19 -37.4 85.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.464 ' CZ3' HD13 ' A' ' 144' ' ' LEU . 5.3 t90 -64.96 -50.6 65.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.943 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.442 ' HB2' ' CD2' ' A' ' 108' ' ' TRP . 15.8 pt20 -66.67 -34.73 78.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.005 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -73.23 -36.58 66.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -75.41 -50.18 16.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.07 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.464 HD13 ' CZ3' ' A' ' 140' ' ' TRP . 0.2 OUTLIER -59.02 -54.24 49.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.04 -179.892 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 0.481 ' HA ' HG21 ' A' ' 110' ' ' VAL . . . -60.43 -54.32 47.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.213 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -58.96 -31.92 69.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.033 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 45.5 t -67.03 -51.74 51.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.93 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 6.9 mt -60.73 -30.72 70.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.926 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -67.43 -54.21 22.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 30.2 mm -69.24 -19.9 23.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.361 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -78.47 -44.36 11.11 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.56 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 5.6 tpt85 -70.06 -35.46 74.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.778 0.323 . . . . 0.0 110.964 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -65.02 -31.44 72.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.075 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 54.4 m -82.67 -31.96 28.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 61.21 113.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -79.0 -128.94 0.58 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.508 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -179.45 96.1 0.1 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.529 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 158' ' ' LEU . 2.6 mm? -117.02 100.64 53.43 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 120.644 0.259 . . . . 0.0 110.808 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -49.81 108.84 0.23 Allowed 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.556 2.171 . . . . 0.0 112.406 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 4.3 mtpt -133.38 -45.7 0.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 4.2 mtt-85 -159.9 107.56 1.68 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 162' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -111.74 116.58 30.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 15.3 m -139.97 31.31 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.17 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 32.2 m120 63.31 141.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.17 61.34 1.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 21.5 t -145.68 -49.77 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.062 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 1.6 m -107.45 33.11 4.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -134.79 80.43 49.55 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.06 63.14 2.55 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.557 2.171 . . . . 0.0 112.292 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -156.12 153.17 28.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.56 91.22 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -75.12 146.74 41.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 3.7 mp -108.68 98.35 28.35 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.136 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -52.63 168.97 0.38 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.481 2.121 . . . . 0.0 112.208 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.77 127.54 13.93 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.522 2.148 . . . . 0.0 112.37 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . -83.86 58.28 5.02 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -170.41 34.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.757 0.313 . . . . 0.0 110.931 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -156.46 -60.67 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.089 0 CA-C-O 118.403 -1.22 . . . . 0.0 112.561 179.938 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.687 ' HB3' HG12 ' A' ' 134' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.702 0.287 . . . . 0.0 111.183 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -165.64 101.88 0.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.056 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.831 ' HB2' HG13 ' A' ' 134' ' ' VAL . . . -104.26 -179.9 4.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 16.3 ptp -167.58 -165.43 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.712 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -104.8 160.54 25.65 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.518 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -85.69 35.79 0.51 Allowed 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.72 2.28 . . . . 0.0 112.994 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.32 22.26 14.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.563 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.451 ' CZ2' HG12 ' A' ' 125' ' ' ILE . 14.8 p-90 -85.87 135.5 33.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.899 0.38 . . . . 0.0 110.93 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.71 108.74 62.42 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.909 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.81 ' CG ' HD21 ' A' ' 121' ' ' LEU . 98.8 Cg_endo -79.8 155.26 23.6 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.452 2.101 . . . . 0.0 112.324 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -172.76 -76.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.826 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -88.11 -50.2 6.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.055 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -61.14 -28.73 69.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.035 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -63.21 -52.03 63.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.955 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.9 mt -73.8 -30.12 27.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.157 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.82 -45.19 62.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.59 HD13 ' CZ2' ' A' ' 108' ' ' TRP . 15.9 mt -71.79 -44.66 63.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.922 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.31 -42.73 96.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.275 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.55 -37.91 89.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.222 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 19.1 tp -81.44 -28.11 34.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.782 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.59 ' CZ2' HD13 ' A' ' 104' ' ' LEU . 46.2 m0 -75.87 -13.36 60.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.34 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 110.5 37.17 1.8 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.67 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.8 t -143.34 110.64 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.869 0.366 . . . . 0.0 111.051 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -90.92 119.3 31.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.232 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.5 mt -123.42 108.64 12.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.785 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.55 -47.04 7.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.833 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.56 166.58 41.71 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.43 155.69 68.89 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.548 2.165 . . . . 0.0 112.264 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 21.4 t -88.79 148.72 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.9 p -89.56 151.71 21.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.843 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.1 m -72.11 -30.71 65.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.984 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -59.41 -37.0 76.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -72.22 -40.6 67.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.931 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.81 HD21 ' CG ' ' A' ' 97' ' ' PRO . 1.8 tp -68.68 -53.5 21.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.18 -37.67 77.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 93.7 p -61.53 -49.86 75.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -61.98 -44.84 95.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.451 HG12 ' CZ2' ' A' ' 95' ' ' TRP . 15.6 mt -62.6 -45.92 97.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.169 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.9 -44.37 97.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.092 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.44 -35.99 78.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.846 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' TRP . . . . . 0.515 ' CZ3' ' CZ ' ' A' ' 135' ' ' PHE . 1.8 t-105 -62.48 -40.86 98.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.742 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -70.4 -40.17 74.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.001 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -73.7 -19.32 60.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.465 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -59.2 -49.67 76.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.97 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 60.98 40.79 98.96 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.648 -0.786 . . . . 0.0 112.451 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 5.0 tttm -150.34 142.89 24.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.724 0.297 . . . . 0.0 110.758 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.831 HG13 ' HB2' ' A' ' 90' ' ' ALA . 20.3 t -103.61 141.74 18.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.29 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.515 ' CZ ' ' CZ3' ' A' ' 128' ' ' TRP . 0.1 OUTLIER -143.13 162.3 35.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.703 179.708 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -63.67 178.78 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.917 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -71.35 -38.84 71.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.931 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 26.2 t -58.2 -34.26 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -66.45 -43.86 84.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.452 ' CH2' ' CD1' ' A' ' 144' ' ' LEU . 1.1 t90 -66.12 -29.36 69.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.875 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.447 ' HG3' ' CG ' ' A' ' 108' ' ' TRP . 12.5 tt0 -71.3 -53.92 12.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.971 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -63.89 -37.47 87.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.061 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -65.23 -54.23 32.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.044 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.452 ' CD1' ' CH2' ' A' ' 140' ' ' TRP . 0.8 OUTLIER -62.73 -39.57 94.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.052 -179.878 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -68.94 -49.77 55.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.156 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -63.34 -30.85 71.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.004 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 56.1 p -71.44 -40.18 70.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.002 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 94.8 mt -77.14 -43.52 33.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.998 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -63.27 -51.98 63.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.995 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 18.0 mt -79.72 -19.55 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.466 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -81.11 -34.71 25.96 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.553 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -68.61 -30.75 69.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.792 0.329 . . . . 0.0 110.961 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -63.18 -29.2 70.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.206 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 53.7 p -59.49 -39.26 83.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.036 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -59.01 135.44 57.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.977 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 137.17 144.3 4.74 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.542 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 74.85 49.77 9.8 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.597 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.416 ' CB ' ' CD ' ' A' ' 159' ' ' PRO . 0.2 OUTLIER -79.47 -62.5 0.42 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.508 0.194 . . . . 0.0 111.19 -179.846 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 159' ' ' PRO . . . . . 0.416 ' CD ' ' CB ' ' A' ' 158' ' ' LEU . 50.8 Cg_endo -69.61 118.55 5.75 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.413 2.075 . . . . 0.0 112.378 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.0 -33.83 6.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -131.05 17.7 5.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 162' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -137.95 87.62 2.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.776 0.322 . . . . 0.0 110.908 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 163' ' ' VAL . . . . . 0.502 ' O ' HG13 ' A' ' 163' ' ' VAL . 11.0 p -149.93 56.79 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.105 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 58.79 87.66 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.943 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 2.3 m 60.2 161.27 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.818 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 21.5 t -137.08 139.01 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.128 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.83 132.54 13.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -103.4 104.0 38.76 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -50.31 168.23 0.2 Allowed 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.45 2.1 . . . . 0.0 112.406 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -71.37 132.43 44.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 4.5 t -95.65 46.25 1.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -127.87 124.21 36.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 68.9 mt 50.34 82.3 0.24 Allowed Pre-proline 0 C--N 1.332 -0.177 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.359 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.99 135.92 26.28 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.619 2.212 . . . . 0.0 112.254 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -73.37 137.46 25.72 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.458 2.105 . . . . 0.0 112.293 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . -127.87 124.95 5.0 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.472 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -126.64 104.76 8.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.818 0.342 . . . . 0.0 110.852 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 61.1 155.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.425 -1.208 . . . . 0.0 112.52 -179.977 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.428 ' HB3' HG12 ' A' ' 134' ' ' VAL . 4.0 mtt . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.827 0.346 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -156.49 98.15 1.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.443 ' HB2' HG13 ' A' ' 134' ' ' VAL . . . -78.9 -179.8 6.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.017 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 6.8 mtm -162.73 -170.9 2.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.922 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -123.24 163.17 35.52 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.261 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -85.38 22.04 1.0 Allowed 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.664 2.243 . . . . 0.0 113.128 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.25 27.27 9.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.597 0.237 . . . . 0.0 111.432 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.403 ' CE3' ' HD3' ' A' ' 97' ' ' PRO . 44.9 p-90 -76.42 124.49 27.63 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.871 0.367 . . . . 0.0 110.795 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -97.33 105.21 23.71 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.403 ' HD3' ' CE3' ' A' ' 95' ' ' TRP . 62.4 Cg_endo -72.86 144.97 39.71 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.453 2.102 . . . . 0.0 112.385 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -178.12 -77.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.886 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -88.15 -50.84 6.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.889 0.376 . . . . 0.0 111.272 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.84 -31.15 62.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.198 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.623 ' CE1' HD11 ' A' ' 112' ' ' LEU . 1.6 t80 -62.47 -46.92 86.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.042 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 38.9 mt -74.56 -39.74 47.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -53.71 50.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.693 HD22 ' CZ2' ' A' ' 108' ' ' TRP . 19.9 mt -65.72 -45.06 84.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.97 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.43 ' HB1' ' HB ' ' A' ' 110' ' ' VAL . . . -60.85 -43.85 97.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.08 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.04 -36.01 76.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 17.5 tp -81.35 -35.02 31.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.778 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.693 ' CZ2' HD22 ' A' ' 104' ' ' LEU . 54.9 m0 -73.99 -13.44 60.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.401 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 92.23 39.59 5.36 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.456 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.43 ' HB ' ' HB1' ' A' ' 105' ' ' ALA . 25.5 t -127.7 120.8 55.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.34 . . . . 0.0 111.054 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -108.71 105.74 15.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.623 HD11 ' CE1' ' A' ' 101' ' ' PHE . 1.7 mt -88.92 141.49 28.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.77 -48.49 2.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -108.02 165.49 12.65 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.793 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -68.22 152.7 75.81 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.59 2.193 . . . . 0.0 112.239 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.629 HG23 ' OE1' ' A' ' 120' ' ' GLU . 11.0 p -73.81 135.57 27.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.038 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 70.1 p -67.1 151.43 47.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 19.1 p -62.47 -37.86 87.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.01 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -60.42 -40.81 92.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.629 ' OE1' HG23 ' A' ' 116' ' ' VAL . 0.3 OUTLIER -64.48 -48.6 74.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.9 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 121' ' ' LEU . 2.2 tp -68.48 -48.84 63.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.37 -31.8 69.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.254 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.6 m -74.93 -41.94 58.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.909 ' CZ ' HD12 ' A' ' 144' ' ' LEU . 1.1 t80 -66.84 -47.86 70.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.816 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 52.7 mt -66.88 -40.72 86.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.057 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.08 -55.46 34.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.197 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -66.4 -31.1 71.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.896 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' TRP . . . . . 0.498 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 5.2 t-105 -72.19 -31.95 66.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.915 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.54 -39.65 45.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -75.32 -30.55 60.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.1 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.06 -49.94 75.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 56.82 36.95 74.93 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.555 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -113.74 -164.42 0.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.725 0.298 . . . . 0.0 110.835 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.443 HG13 ' HB2' ' A' ' 90' ' ' ALA . 10.9 t -139.93 142.05 32.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.027 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.498 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 0.8 OUTLIER -137.13 171.16 14.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.785 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 136' ' ' HIS . . . . . 0.409 ' CD2' ' HA ' ' A' ' 88' ' ' MET . 3.9 m-70 -92.29 177.87 6.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.774 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 48.9 p-80 -69.18 -34.22 74.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.932 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.3 -41.52 83.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -67.8 -32.5 73.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.031 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.427 ' CZ3' HD22 ' A' ' 144' ' ' LEU . 9.2 t90 -69.97 -42.37 73.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.447 ' HB3' ' CZ2' ' A' ' 108' ' ' TRP . 8.6 pt20 -73.68 -35.44 65.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.065 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -71.6 -39.47 70.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.162 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -70.37 -54.31 13.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.149 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.909 HD12 ' CZ ' ' A' ' 124' ' ' PHE . 0.2 OUTLIER -59.75 -56.03 26.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.12 -179.775 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 0.434 ' HA ' HD12 ' A' ' 148' ' ' LEU . . . -55.93 -55.03 37.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.39 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.18 -31.29 68.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.114 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 24.3 m -73.33 -44.94 57.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.895 0.379 . . . . 0.0 111.058 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 145' ' ' ALA . 9.4 mt -59.72 -39.39 84.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.021 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -68.5 -57.85 5.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 31.6 mm -62.6 -18.99 21.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.313 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -78.36 -46.48 8.95 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.509 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 -77.24 -29.96 54.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.81 0.338 . . . . 0.0 111.09 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -68.75 -41.44 78.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.261 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 80.7 p -92.72 -41.83 9.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.997 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -109.29 154.56 22.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -167.94 -49.31 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.564 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 90.87 132.04 5.15 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.461 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.513 HD23 ' HB2' ' A' ' 162' ' ' ASP . 3.3 mp -105.86 118.85 54.18 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 120.506 0.193 . . . . 0.0 110.771 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.87 86.01 0.75 Allowed 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.369 2.046 . . . . 0.0 112.288 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 28.8 mttp 60.32 68.6 0.75 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 51.6 mtt180 59.82 176.32 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 162' ' ' ASP . . . . . 0.513 ' HB2' HD23 ' A' ' 158' ' ' LEU . 4.1 t70 -119.75 140.35 50.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 163' ' ' VAL . . . . . 0.838 HG22 HG22 ' A' ' 165' ' ' THR . 12.8 p -100.88 140.09 20.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.073 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -76.8 72.1 3.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.047 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 165' ' ' THR . . . . . 0.838 HG22 HG22 ' A' ' 163' ' ' VAL . 3.6 t -178.85 42.32 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.939 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 20.3 t -139.06 143.88 30.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 14.1 m -170.9 97.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.801 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 168' ' ' GLU . . . . . 0.42 ' CB ' ' HD3' ' A' ' 169' ' ' PRO . 1.2 tm-20 -89.28 -55.18 0.3 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.033 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 169' ' ' PRO . . . . . 0.42 ' HD3' ' CB ' ' A' ' 168' ' ' GLU . 83.1 Cg_endo -87.83 21.28 1.05 Allowed 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.792 2.328 . . . . 0.0 112.899 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.08 136.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.92 0.391 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 91.8 p -88.87 140.77 29.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.82 148.95 41.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 7.6 mt -119.26 108.94 39.42 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.97 134.82 26.23 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.439 2.092 . . . . 0.0 112.272 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -73.31 101.32 1.34 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.476 2.118 . . . . 0.0 112.284 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . -157.42 -119.5 0.59 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.526 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -123.69 166.47 15.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.912 0.387 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -103.9 -58.7 1.84 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.089 0 CA-C-O 118.408 -1.218 . . . . 0.0 112.508 179.98 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.582 ' HB3' HG12 ' A' ' 134' ' ' VAL . 1.6 mpp? . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.826 0.346 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -147.71 114.44 6.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.481 ' N ' HG13 ' A' ' 134' ' ' VAL . . . -89.56 -179.98 5.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.035 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -169.52 -171.46 1.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -118.3 156.16 51.07 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.676 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -85.24 35.4 0.52 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.774 2.316 . . . . 0.0 112.959 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.2 18.99 17.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.293 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.4 ' O ' ' CE3' ' A' ' 95' ' ' TRP . 26.1 p-90 -81.47 145.75 30.58 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 120.845 0.355 . . . . 0.0 111.021 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -110.63 149.76 40.76 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.84 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.9 146.29 58.85 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.587 2.192 . . . . 0.0 112.273 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -158.58 -172.34 3.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.31 -30.56 69.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.077 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.51 -32.5 70.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -62.3 -47.57 83.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 10.6 mt -76.74 -37.57 28.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.086 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -52.12 65.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.44 HD22 ' CZ2' ' A' ' 108' ' ' TRP . 17.1 mt -66.14 -44.26 84.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.15 -42.73 95.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.068 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.17 -36.1 82.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.087 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 16.8 tp -81.47 -30.85 33.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.73 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.44 ' CZ2' HD22 ' A' ' 104' ' ' LEU . 52.8 m0 -72.21 -13.37 61.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.32 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 107.3 37.58 2.27 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.676 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.592 HG21 ' HA ' ' A' ' 145' ' ' ALA . 24.2 t -140.12 119.05 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.813 0.34 . . . . 0.0 111.118 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -98.91 103.24 15.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.1 mt -86.53 118.28 25.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 48.1 mmm-85 -98.11 -59.28 1.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -90.59 150.02 41.77 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.15 159.48 4.07 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.603 2.202 . . . . 0.0 112.363 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 1.005 HG11 HD13 ' A' ' 121' ' ' LEU . 27.7 t -74.71 140.85 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.085 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 76.9 p -91.57 157.93 16.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.5 p -70.64 -41.74 71.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -59.74 -36.99 77.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.52 -50.4 31.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 1.005 HD13 HG11 ' A' ' 116' ' ' VAL . 2.4 tp -61.27 -49.33 77.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.27 -37.89 81.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.4 m -59.73 -48.33 82.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.983 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -60.52 -42.33 96.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.957 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 37.4 mt -71.0 -30.76 42.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.053 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.37 -48.11 79.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -77.11 -31.6 55.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . 0.497 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 4.3 t-105 -63.01 -46.97 85.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.786 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -77.49 -35.38 53.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.876 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.04 -30.76 70.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -70.79 -42.05 70.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 59.38 35.22 84.15 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.407 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.52 -164.85 0.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.807 0.337 . . . . 0.0 110.741 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.582 HG12 ' HB3' ' A' ' 88' ' ' MET . 4.4 t -135.98 142.1 39.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.948 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.497 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 4.2 m-85 -132.24 140.28 48.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.956 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' HIS . . . . . 0.426 ' CG ' ' HA ' ' A' ' 88' ' ' MET . 2.9 m-70 -68.39 174.25 4.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.62 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . 0.54 ' CE1' HG23 ' A' ' 138' ' ' VAL . 6.9 p80 -63.14 -49.75 73.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.852 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.54 HG23 ' CE1' ' A' ' 137' ' ' HIS . 23.3 t -60.7 -37.8 76.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.804 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.67 -33.79 76.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.519 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.441 ' CZ2' HD11 ' A' ' 144' ' ' LEU . 0.2 OUTLIER -69.07 -42.95 75.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.813 179.819 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . 0.43 ' HG2' ' CZ2' ' A' ' 108' ' ' TRP . 43.3 mt-30 -61.14 -41.32 96.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.038 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -73.38 -42.72 61.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.361 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.73 -53.64 54.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.028 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.441 HD11 ' CZ2' ' A' ' 140' ' ' TRP . 0.2 OUTLIER -67.28 -31.91 72.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.006 -179.833 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . 0.592 ' HA ' HG21 ' A' ' 110' ' ' VAL . . . -70.53 -60.07 2.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.169 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . 0.495 ' O ' HD12 ' A' ' 150' ' ' ILE . 3.9 mtm-85 -60.76 -29.01 69.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.929 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.9 m -66.55 -52.48 45.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 83.3 mt -75.06 -30.68 61.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -67.9 -57.78 5.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.968 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.495 HD12 ' O ' ' A' ' 146' ' ' ARG . 6.5 mt -75.39 -19.75 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.328 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.516 -179.959 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.472 ' HB3' HG12 ' A' ' 134' ' ' VAL . 2.1 mtp . . . . . 0 N--CA 1.488 1.447 0 CA-C-O 120.835 0.35 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.407 ' CD1' ' O ' ' A' ' 88' ' ' MET . 55.8 m-85 -152.07 111.96 4.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.953 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.556 ' HB2' HG22 ' A' ' 134' ' ' VAL . . . -97.6 169.48 9.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.032 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 9.0 mtm -144.56 -166.52 2.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -119.37 155.44 53.92 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.765 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -87.52 39.57 0.57 Allowed 'Trans proline' 0 N--CA 1.459 -0.502 0 C-N-CA 122.901 2.4 . . . . 0.0 112.684 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -112.55 -15.49 13.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.308 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 40.0 p-90 -53.64 151.55 5.96 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.867 0.365 . . . . 0.0 111.184 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -136.79 149.68 67.63 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.91 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.22 151.44 17.17 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.534 2.156 . . . . 0.0 112.311 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -172.56 -176.4 1.52 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.24 -31.39 70.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.031 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -63.07 -31.81 73.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.463 ' CZ ' HD21 ' A' ' 144' ' ' LEU . 0.1 OUTLIER -61.42 -50.62 72.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 33.7 mm -69.19 -35.81 69.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.27 -50.5 73.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.808 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.509 HD13 ' CZ2' ' A' ' 108' ' ' TRP . 13.0 mt -68.51 -41.85 79.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.81 -37.54 87.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.163 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.98 -43.02 89.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.185 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 20.0 tp -81.39 -27.95 34.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.818 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.509 ' CZ2' HD13 ' A' ' 104' ' ' LEU . 26.1 m0 -68.15 -13.48 62.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.279 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 99.41 43.62 2.5 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.5 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 17.5 t -136.61 110.71 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.849 0.357 . . . . 0.0 111.052 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -81.32 116.83 21.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.057 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.439 HD22 ' N ' ' A' ' 112' ' ' LEU . 3.8 mm? -75.06 114.02 13.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.62 -31.24 10.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -133.97 159.44 72.39 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.08 165.55 23.74 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.58 2.187 . . . . 0.0 112.247 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 26.5 t -78.41 120.24 28.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.082 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 22.9 p -87.11 153.57 21.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 7.4 m -69.06 -31.38 70.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -60.86 -43.68 98.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -68.57 -45.25 72.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 40.4 mt -61.72 -48.5 80.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.948 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.12 -43.82 97.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.137 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 26.5 p -61.98 -32.63 73.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -70.47 -51.06 31.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 47.3 mt -68.19 -30.49 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.136 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.69 -58.08 6.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.123 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -67.77 -35.38 78.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.983 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . 0.499 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 4.5 t-105 -69.9 -42.08 73.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.707 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -75.37 -36.23 60.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.931 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.3 -44.94 82.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -63.03 -49.3 75.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.982 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 62.7 36.57 93.47 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.421 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -102.19 -162.66 0.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.819 0.342 . . . . 0.0 110.756 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.556 HG22 ' HB2' ' A' ' 90' ' ' ALA . 16.6 t -134.22 141.91 42.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.173 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.499 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 6.6 m-85 -130.17 163.46 26.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -90.59 178.46 6.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.757 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 33.0 t60 -61.2 -56.39 21.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.818 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 26.5 t -62.77 -34.96 68.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.99 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -63.08 -46.08 89.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.776 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.624 ' CZ3' HD13 ' A' ' 144' ' ' LEU . 1.7 t90 -62.83 -38.46 90.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.574 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . 0.439 ' HG3' ' CD2' ' A' ' 108' ' ' TRP . 12.8 tt0 -61.82 -52.61 63.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.831 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -65.86 -30.45 71.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.58 -54.27 45.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.996 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.624 HD13 ' CZ3' ' A' ' 140' ' ' TRP . 0.1 OUTLIER -67.17 -42.44 84.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -61.33 -50.62 72.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.049 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.65 -32.45 72.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.765 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.4 t -65.1 -52.53 54.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 9.4 mt -62.41 -30.02 70.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.828 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -65.54 -57.58 7.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 38.7 mm -64.97 -21.76 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.311 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.474 179.953 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.725 ' HB3' HG12 ' A' ' 134' ' ' VAL . 1.6 mtp . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.71 0.291 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.413 ' C ' HG13 ' A' ' 134' ' ' VAL . 1.4 p90 -167.16 124.94 1.26 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.914 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.461 ' N ' HG13 ' A' ' 134' ' ' VAL . . . -88.67 108.87 19.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.249 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 18.1 mtp -76.8 -174.64 3.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -113.38 163.5 18.18 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.682 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -86.11 38.08 0.58 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.836 2.357 . . . . 0.0 112.649 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.15 -17.57 12.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.306 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.405 ' O ' ' CE3' ' A' ' 95' ' ' TRP . 37.8 p-90 -52.42 137.29 29.85 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.831 0.348 . . . . 0.0 111.294 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -132.35 167.68 21.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.833 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.41 145.92 54.73 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.491 2.128 . . . . 0.0 112.353 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -165.73 -170.97 1.93 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.76 -42.07 96.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.048 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -60.19 -31.85 70.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.413 ' CE1' HD21 ' A' ' 144' ' ' LEU . 46.6 t80 -64.53 -42.71 95.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 34.1 mt -75.29 -33.22 27.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -53.22 41.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.88 HD23 ' CZ2' ' A' ' 108' ' ' TRP . 6.9 mp -64.41 -42.79 95.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.782 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.98 -41.5 98.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.113 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.1 -34.65 76.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 19.7 tp -81.52 -31.55 32.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.673 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.88 ' CZ2' HD23 ' A' ' 104' ' ' LEU . 51.5 m0 -72.62 -13.41 61.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.307 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 105.53 47.3 1.13 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.439 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.5 t -139.23 114.28 8.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.766 0.317 . . . . 0.0 111.2 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -104.96 118.79 37.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.042 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.8 150.83 42.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.86 -44.58 4.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.5 163.26 17.37 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.01 145.16 66.69 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.583 2.189 . . . . 0.0 112.362 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 21.2 t -62.68 139.96 20.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.096 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 22.9 p -75.82 157.69 33.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.825 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 11.7 p -70.92 -28.63 64.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -57.78 -42.13 83.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.036 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.461 ' OE1' HD23 ' A' ' 148' ' ' LEU . 11.2 tt0 -67.02 -44.27 80.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 11.0 mp -65.54 -46.69 78.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.985 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.24 -38.11 89.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.061 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 22.6 m -68.87 -33.43 73.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.859 ' CZ ' HD12 ' A' ' 144' ' ' LEU . 1.4 t80 -69.58 -43.51 72.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 26.9 mt -69.67 -33.5 56.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.17 -49.26 70.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.03 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -73.53 -31.91 63.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . 0.504 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 5.2 t-105 -67.26 -45.98 75.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.717 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -76.05 -34.0 59.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.43 -30.81 64.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.079 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -68.53 -39.9 80.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 59.77 45.49 95.67 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.525 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.46 -164.76 1.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.836 0.35 . . . . 0.0 110.766 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.725 HG12 ' HB3' ' A' ' 88' ' ' MET . 4.3 t -141.21 142.11 29.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.998 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.504 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 3.6 m-85 -132.48 160.03 37.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.865 0.364 . . . . 0.0 111.05 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' HIS . . . . . 0.442 ' CD2' ' HG3' ' A' ' 88' ' ' MET . 0.5 OUTLIER -87.83 177.61 6.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.768 179.817 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -63.0 -46.26 88.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 21.3 t -63.32 -37.97 80.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.937 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -66.86 -32.4 73.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.687 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 9.4 t90 -69.39 -43.83 72.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . 0.448 ' HB2' ' CD2' ' A' ' 108' ' ' TRP . 2.9 pt20 -73.83 -30.46 62.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.959 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -75.03 -46.92 31.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.03 -54.41 38.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.935 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.859 HD12 ' CZ ' ' A' ' 124' ' ' PHE . 0.2 OUTLIER -58.97 -48.0 83.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.011 -179.83 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -59.11 -52.7 64.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.11 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -30.53 71.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.963 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 5.7 t -69.68 -48.0 61.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.461 HD23 ' OE1' ' A' ' 120' ' ' GLU . 3.4 mt -66.39 -29.65 69.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -66.96 -57.85 6.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.052 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -67.43 -27.25 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.297 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.438 179.946 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.408 ' HB2' HG12 ' A' ' 134' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.788 0.328 . . . . 0.0 111.113 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -160.12 120.69 2.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.428 ' HB2' HG22 ' A' ' 134' ' ' VAL . . . -81.08 -179.88 7.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.03 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -173.77 -165.84 0.27 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.812 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 10.4 p90 -114.46 149.41 42.14 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.623 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -84.93 35.49 0.53 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.72 2.28 . . . . 0.0 112.787 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -113.19 9.99 18.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.477 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.462 ' CZ2' HG12 ' A' ' 125' ' ' ILE . 38.0 p-90 -71.88 140.14 49.16 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 120.849 0.357 . . . . 0.0 110.852 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -107.68 145.43 31.31 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.32 143.74 52.31 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.546 2.164 . . . . 0.0 112.318 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -152.45 -176.85 5.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.29 -30.64 68.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.137 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -59.49 -32.31 70.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.96 -52.94 62.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 19.5 mt -73.03 -30.55 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.027 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.45 -52.22 59.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.945 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.761 HD23 ' CZ2' ' A' ' 108' ' ' TRP . 6.9 mp -66.24 -46.25 77.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.71 -32.16 73.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.28 -32.74 49.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.159 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 17.5 tp -81.47 -30.99 33.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.672 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.761 ' CZ2' HD23 ' A' ' 104' ' ' LEU . 52.9 m0 -74.84 -13.42 60.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.235 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 95.75 35.38 5.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.539 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.5 t -112.61 110.64 32.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.833 0.349 . . . . 0.0 111.088 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -120.06 129.8 54.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.091 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.4 mp -102.6 159.22 15.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -101.28 -40.53 7.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -123.88 160.58 51.01 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.79 125.06 11.69 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.593 2.195 . . . . 0.0 112.322 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.484 HG12 ' N ' ' A' ' 117' ' ' THR . 27.9 t -75.29 158.49 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.029 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.484 ' N ' HG12 ' A' ' 116' ' ' VAL . 0.2 OUTLIER -102.97 170.4 7.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.943 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 71.8 p -61.87 -23.2 66.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.062 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -53.56 -43.56 68.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.1 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -65.75 -49.01 69.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 13.4 mt -60.39 -49.99 75.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.45 -32.65 70.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.17 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.05 -41.93 85.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.99 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -67.03 -48.04 69.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.008 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.462 HG12 ' CZ2' ' A' ' 95' ' ' TRP . 49.2 mt -59.89 -43.96 93.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.023 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.43 -45.56 91.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.053 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -67.56 -35.51 79.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . 0.424 ' CE3' ' CE2' ' A' ' 135' ' ' PHE . 6.5 t-105 -65.95 -52.33 50.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.772 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.07 -30.48 66.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.937 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.34 -40.4 62.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.119 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -59.95 -39.57 86.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 59.47 38.08 93.01 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.412 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.14 -165.4 1.4 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.822 0.344 . . . . 0.0 110.824 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.428 HG22 ' HB2' ' A' ' 90' ' ' ALA . 20.2 t -131.92 141.96 44.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.107 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.424 ' CE2' ' CE3' ' A' ' 128' ' ' TRP . 6.0 m-85 -128.44 156.96 42.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.987 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' HIS . . . . . 0.416 ' CD2' ' N ' ' A' ' 136' ' ' HIS . 5.2 m170 -87.7 171.81 10.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -67.13 -45.1 78.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.819 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.14 -32.88 57.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.996 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -71.25 -38.96 71.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.757 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 25.3 t90 -65.58 -44.29 87.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.811 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . 0.468 ' HB3' ' CZ2' ' A' ' 108' ' ' TRP . 4.2 pt20 -70.93 -42.89 69.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.043 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -62.96 -50.57 70.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.256 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.58 -54.16 50.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.293 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.93 -43.79 86.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.219 -179.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -66.84 -60.12 2.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.42 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 1.2 mmt-85 -58.46 -30.29 66.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.162 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 36.9 t -71.1 -52.64 18.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.057 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 65.8 mt -59.79 -30.04 68.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -54.27 15.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 28.5 mm -69.54 -20.51 23.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.329 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.477 -179.966 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.663 ' HB3' HG12 ' A' ' 134' ' ' VAL . 6.3 mtp . . . . . 0 N--CA 1.489 1.483 0 CA-C-O 120.835 0.35 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -146.74 110.39 4.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.535 ' HB2' HG22 ' A' ' 134' ' ' VAL . . . -79.77 104.68 10.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.126 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 4.4 mmm -76.79 -170.49 1.61 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -115.06 141.98 27.81 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.545 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -84.92 34.12 0.5 Allowed 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.683 2.256 . . . . 0.0 112.899 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.24 -8.54 13.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.385 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 50.0 p-90 -53.53 140.26 28.87 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 120.936 0.398 . . . . 0.0 111.191 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -103.94 154.62 37.96 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.822 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.86 141.05 63.52 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.562 2.175 . . . . 0.0 112.254 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -157.15 179.41 9.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.03 -29.76 71.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.136 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -58.65 -31.31 68.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.44 ' CZ ' HD11 ' A' ' 144' ' ' LEU . 0.3 OUTLIER -64.73 -44.11 91.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 32.9 mt -73.9 -34.49 39.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.085 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.47 -55.38 34.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.602 HD13 ' CZ2' ' A' ' 108' ' ' TRP . 15.9 mt -63.9 -44.5 92.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.53 -42.49 98.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.137 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.32 -38.88 91.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 18.4 tp -81.54 -31.28 32.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.729 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.602 ' CZ2' HD13 ' A' ' 104' ' ' LEU . 46.5 m0 -70.96 -13.43 62.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.311 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 109.27 43.12 1.2 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.454 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.6 t -128.49 118.39 47.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.789 0.328 . . . . 0.0 111.117 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -118.18 95.52 4.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 23.0 mt -93.66 128.5 39.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.956 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -60.55 2.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -90.55 160.72 38.45 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.3 173.16 0.13 Allowed 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.557 2.171 . . . . 0.0 112.35 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.443 HG13 ' O ' ' A' ' 116' ' ' VAL . 11.3 p -77.09 123.72 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.163 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -93.07 160.59 14.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.25 -29.25 63.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.96 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -57.03 -47.3 81.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.08 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -66.82 -44.33 81.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.808 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 13.2 mt -62.81 -51.78 65.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -58.39 -33.63 69.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 15.0 t -64.84 -47.37 78.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.436 ' CE1' ' HG ' ' A' ' 144' ' ' LEU . 54.1 t80 -62.69 -48.04 81.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.949 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 54.9 mt -64.19 -32.89 59.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.996 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.51 -41.5 93.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -77.0 -35.76 56.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . 0.502 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 8.7 t-105 -66.39 -38.5 87.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.793 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -74.0 -43.71 57.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.25 -31.37 69.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.067 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.46 -49.98 71.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 58.72 34.04 75.34 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.562 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.33 -164.13 0.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.775 0.321 . . . . 0.0 110.796 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.663 HG12 ' HB3' ' A' ' 88' ' ' MET . 4.8 t -139.14 142.07 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.502 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 0.6 OUTLIER -139.77 171.17 14.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.948 -179.894 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' HIS . . . . . 0.443 ' CE1' ' HG3' ' A' ' 88' ' ' MET . 4.1 m-70 -95.32 -169.08 1.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.623 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . 0.453 ' CE1' HG23 ' A' ' 138' ' ' VAL . 7.8 p80 -71.3 -45.14 63.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.713 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.453 HG23 ' CE1' ' A' ' 137' ' ' HIS . 21.7 t -63.97 -43.06 97.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.972 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -60.79 -38.94 87.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.766 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.419 ' CZ3' HD12 ' A' ' 144' ' ' LEU . 1.1 t90 -67.7 -34.67 77.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.574 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . 0.429 ' HG3' ' CG ' ' A' ' 108' ' ' TRP . 13.1 tt0 -65.14 -58.07 6.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.919 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -60.47 -35.3 75.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.975 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt -65.06 -54.06 36.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.968 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.746 HD22 HD11 ' A' ' 148' ' ' LEU . 0.4 OUTLIER -65.28 -42.05 93.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.007 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -58.65 -60.01 4.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.229 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 31.7 mtt85 -59.05 -30.13 67.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.042 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 10.6 t -70.47 -36.66 74.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.746 HD11 HD22 ' A' ' 144' ' ' LEU . 14.5 mt -79.91 -35.23 38.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.959 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.56 -49.73 24.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.964 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 23.9 mt -81.77 -20.58 10.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.392 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 -179.936 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.626 ' HB3' HG12 ' A' ' 134' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.856 0.36 . . . . 0.0 111.195 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -139.66 110.54 6.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.938 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.836 ' HB2' HG13 ' A' ' 134' ' ' VAL . . . -106.17 179.57 4.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 7.0 ptp -174.01 -172.56 0.73 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.809 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -94.44 163.68 22.25 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.685 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -87.11 39.59 0.61 Allowed 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 122.837 2.358 . . . . 0.0 112.57 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -110.38 -9.14 14.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.712 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.492 ' CZ2' HG12 ' A' ' 125' ' ' ILE . 29.1 p-90 -61.47 145.91 50.26 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 120.793 0.33 . . . . 0.0 110.945 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -120.42 154.13 56.44 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -68.84 146.12 64.82 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.638 2.225 . . . . 0.0 112.271 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.0 -171.14 3.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.76 -33.68 72.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.075 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -60.53 -30.89 70.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.751 ' CZ ' HD21 ' A' ' 144' ' ' LEU . 9.3 t80 -60.54 -50.22 74.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 33.8 mt -76.16 -35.73 29.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.175 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -46.14 83.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.419 HD22 ' CZ2' ' A' ' 108' ' ' TRP . 18.1 mt -69.54 -43.45 72.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.3 -34.92 74.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.59 -39.12 88.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.045 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 20.2 tp -81.44 -29.67 33.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.755 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.442 ' CD2' ' HB2' ' A' ' 141' ' ' GLN . 52.0 m0 -73.03 -13.44 61.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.28 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 107.0 47.97 0.98 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.591 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.6 t -141.11 125.68 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.82 0.343 . . . . 0.0 111.148 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -111.04 104.35 12.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.052 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 45.3 mt -118.93 118.36 31.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.31 -34.11 63.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.2 163.41 20.13 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -65.04 174.51 4.74 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.532 2.155 . . . . 0.0 112.265 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 21.1 t -67.1 154.71 7.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.138 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.55 161.16 13.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.872 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.5 p -65.7 -42.81 90.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -59.01 -40.17 84.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -48.42 72.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.7 -40.9 88.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.09 -37.23 79.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.124 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.2 m -74.03 -35.08 64.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.775 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.588 ' CZ ' HD12 ' A' ' 144' ' ' LEU . 3.0 t80 -66.1 -58.85 4.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.492 HG12 ' CZ2' ' A' ' 95' ' ' TRP . 63.6 mt -60.38 -41.47 87.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.72 -59.07 6.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.081 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -64.26 -30.95 71.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.745 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . 0.501 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 9.2 t-105 -67.09 -41.89 85.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.766 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -76.3 -42.99 43.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.43 -30.83 71.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.071 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.65 -49.95 75.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 67.96 37.24 87.67 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.521 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -129.12 -166.18 1.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.752 0.31 . . . . 0.0 110.753 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.836 HG13 ' HB2' ' A' ' 90' ' ' ALA . 2.8 t -130.99 142.06 44.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.048 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.501 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 12.9 m-85 -124.54 148.17 47.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.957 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' HIS . . . . . 0.43 ' CG ' ' HA ' ' A' ' 88' ' ' MET . 1.8 m-70 -88.34 -173.3 4.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 21.3 m-70 -67.74 -44.01 78.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 26.5 t -67.71 -40.76 84.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.044 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -66.13 -36.75 83.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 13.9 t90 -65.88 -45.28 82.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . 0.442 ' HB2' ' CD2' ' A' ' 108' ' ' TRP . 4.2 pt20 -73.06 -41.0 64.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.068 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.38 -49.9 67.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.04 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.31 -53.21 60.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.97 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.751 HD21 ' CZ ' ' A' ' 101' ' ' PHE . 0.3 OUTLIER -59.55 -47.84 83.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.93 -179.88 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -60.42 -43.96 96.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.64 -29.09 66.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.95 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.2 m -72.08 -44.35 63.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.972 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.44 ' CD1' HD23 ' A' ' 144' ' ' LEU . 34.7 mt -71.61 -36.1 70.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.976 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -63.66 -56.04 18.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.0 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 29.7 mt -78.02 -19.68 13.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.412 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.548 180.0 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.626 ' HB2' HG12 ' A' ' 134' ' ' VAL . 8.7 ptp . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.739 0.304 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 55.7 p90 -164.42 123.19 1.84 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.011 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -105.79 -179.97 4.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.089 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.09 -166.84 1.5 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.968 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -100.26 158.54 31.79 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.467 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -83.44 35.58 0.57 Allowed 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.619 2.213 . . . . 0.0 112.977 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -113.53 -8.61 13.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.467 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 37.9 p-90 -54.81 157.85 2.94 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 120.913 0.387 . . . . 0.0 111.417 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -128.84 139.54 35.94 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.733 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.2 172.46 0.15 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.478 2.118 . . . . 0.0 112.323 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -169.05 -171.49 1.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.94 -30.47 70.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.466 ' OD1' HD13 ' A' ' 104' ' ' LEU . 18.9 t0 -64.71 -33.5 76.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.93 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.2 -54.71 42.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.836 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 5.2 mt -64.24 -42.36 95.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -48.9 79.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.939 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.904 HD23 ' CZ2' ' A' ' 108' ' ' TRP . 7.7 mp -68.82 -38.54 79.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.99 -39.21 88.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.55 -30.64 47.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.149 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 17.5 tp -81.46 -30.69 33.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.702 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.904 ' CZ2' HD23 ' A' ' 104' ' ' LEU . 49.6 m0 -73.05 -13.42 61.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.309 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 101.74 44.04 2.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.606 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.3 t -141.61 117.86 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.761 0.315 . . . . 0.0 111.056 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -100.99 124.23 46.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.117 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.5 mp -118.26 110.45 17.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -95.82 -35.75 11.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.841 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.51 154.13 50.89 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -69.11 135.14 31.17 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.573 2.182 . . . . 0.0 112.285 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 11.0 p -59.58 144.8 12.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.057 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 40.6 p -103.09 151.17 22.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.9 t -64.86 -31.48 72.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.56 -36.51 84.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -70.91 -50.7 32.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 19.8 mt -63.28 -47.12 83.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.79 -39.66 85.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 57.3 p -62.11 -43.75 98.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.418 ' CZ ' ' HG ' ' A' ' 144' ' ' LEU . 45.2 t80 -60.78 -48.48 81.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.937 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 59.3 mt -62.44 -32.88 56.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.03 -51.32 68.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.95 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -67.15 -32.02 72.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.693 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . 0.495 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 7.9 t-105 -67.74 -40.72 84.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.635 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -76.93 -35.29 57.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -76.5 -28.15 56.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.17 -42.65 91.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.833 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 60.88 45.2 97.0 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.447 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -142.71 -175.08 4.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.802 0.334 . . . . 0.0 110.564 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.626 HG12 ' HB2' ' A' ' 88' ' ' MET . 12.1 t -130.51 142.11 44.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.066 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.495 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 2.1 m-85 -126.63 164.04 22.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.926 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' HIS . . . . . 0.429 ' N ' ' CD2' ' A' ' 136' ' ' HIS . 4.4 m170 -92.13 174.05 7.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.749 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -64.72 -48.81 73.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.747 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.39 -35.36 75.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.025 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -73.21 -34.56 65.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -69.0 -36.17 77.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.028 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . 0.47 ' HB3' ' CE2' ' A' ' 108' ' ' TRP . 3.6 pt20 -73.83 -42.16 61.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.23 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -75.2 -28.31 59.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.229 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -75.76 -40.21 55.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.978 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.418 ' HG ' ' CZ ' ' A' ' 124' ' ' PHE . 0.5 OUTLIER -70.18 -44.31 69.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.947 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -63.64 -56.48 15.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.109 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -60.23 -30.73 69.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 4.0 m -67.95 -43.89 78.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.937 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 95.1 mt -74.48 -35.01 63.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -67.08 -51.79 50.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.995 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 30.3 mt -80.3 -19.21 12.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.39 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.513 179.945 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.563 ' HB3' HG12 ' A' ' 134' ' ' VAL . 47.9 mtm . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.817 0.341 . . . . 0.0 111.177 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -148.58 108.17 3.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.66 ' HB2' HG22 ' A' ' 134' ' ' VAL . . . -88.43 104.41 16.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.181 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 6.5 ptm -82.27 -167.59 1.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 18.6 p90 -117.23 143.43 31.85 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.524 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -84.91 31.94 0.49 Allowed 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.744 2.296 . . . . 0.0 112.992 -179.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.27 19.63 16.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.343 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.442 ' CZ2' HG12 ' A' ' 125' ' ' ILE . 27.7 p-90 -77.1 142.4 39.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.804 0.335 . . . . 0.0 111.007 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -110.48 158.91 34.07 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.766 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -66.89 141.65 59.61 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.534 2.156 . . . . 0.0 112.284 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -162.81 -174.81 4.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.69 -32.2 72.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -59.22 -36.59 75.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.18 -47.91 82.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 28.6 mt -74.43 -30.42 25.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.057 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.33 -52.62 38.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.77 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.837 HD23 ' CZ2' ' A' ' 108' ' ' TRP . 6.0 mp -66.0 -38.02 87.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.94 -43.91 97.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.131 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.4 -30.7 60.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.278 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 19.3 tp -81.37 -31.62 33.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.723 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.837 ' CZ2' HD23 ' A' ' 104' ' ' LEU . 39.6 m0 -73.76 -13.41 60.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.261 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 106.1 27.77 5.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.51 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.535 HG11 HD12 ' A' ' 148' ' ' LEU . 21.2 t -119.93 111.17 31.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.835 0.35 . . . . 0.0 111.115 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -117.59 98.16 6.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.7 mt -93.79 120.64 34.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.779 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.81 -39.11 57.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.45 140.49 22.05 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.826 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.82 144.22 55.95 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.457 2.105 . . . . 0.0 112.29 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 12.7 p -72.86 135.29 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.074 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 38.7 p -80.21 150.66 30.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.3 t -63.61 -30.18 71.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -57.67 -38.38 75.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.003 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -67.88 -43.16 79.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.803 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.86 -48.09 69.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.85 -40.74 98.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.089 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.1 m -65.3 -41.2 94.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.593 ' CZ ' HD12 ' A' ' 144' ' ' LEU . 2.1 t80 -61.47 -52.38 64.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.867 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.442 HG12 ' CZ2' ' A' ' 95' ' ' TRP . 16.8 mt -67.29 -32.0 55.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.027 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.35 -47.39 86.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.066 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -76.05 -31.0 58.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . 0.509 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 7.5 t-105 -70.69 -40.73 72.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.812 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.56 -31.42 53.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.872 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.1 -37.49 64.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -73.03 -46.81 49.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.93 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 63.2 29.42 74.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.371 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.36 -159.47 0.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.69 0.281 . . . . 0.0 110.666 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.66 HG22 ' HB2' ' A' ' 90' ' ' ALA . 13.1 t -140.02 141.96 32.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.141 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.509 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 6.8 m-85 -132.83 171.1 14.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.911 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' HIS . . . . . 0.433 ' CE1' ' HA ' ' A' ' 88' ' ' MET . 4.1 m-70 -103.04 175.93 5.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.677 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . 0.765 ' CD2' HG23 ' A' ' 138' ' ' VAL . 32.9 p-80 -65.62 -51.73 57.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.766 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.765 HG23 ' CD2' ' A' ' 137' ' ' HIS . 25.7 t -64.71 -34.04 67.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.998 0.428 . . . . 0.0 110.799 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.57 -56.55 18.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.723 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 3.1 t90 -58.59 -33.16 69.67 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.731 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . 0.449 ' HG3' ' CD2' ' A' ' 108' ' ' TRP . 11.6 tt0 -66.24 -52.16 50.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.155 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -69.77 -41.1 75.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.439 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.8 -54.37 47.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.222 -179.689 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.593 HD12 ' CZ ' ' A' ' 124' ' ' PHE . 0.2 OUTLIER -61.95 -43.12 99.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.079 -179.898 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -62.95 -41.13 99.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.286 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -75.79 -25.79 56.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.172 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.76 -41.77 67.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.039 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.535 HD12 HG11 ' A' ' 110' ' ' VAL . 70.9 mt -75.92 -39.76 55.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.13 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -69.42 -56.25 7.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 21.1 mt -74.32 -20.46 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.423 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.542 179.928 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 29.2 mtm . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.78 0.324 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -154.72 99.53 2.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.414 ' CA ' HG13 ' A' ' 134' ' ' VAL . . . -76.6 -179.81 5.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.038 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.66 -163.72 1.31 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.735 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.444 ' N ' ' CD1' ' A' ' 92' ' ' TYR . 1.8 p90 -133.9 155.45 80.24 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.39 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -84.47 20.66 1.19 Allowed 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.765 2.31 . . . . 0.0 113.106 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.15 20.81 15.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.506 0.193 . . . . 0.0 111.471 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.41 ' O ' ' CE3' ' A' ' 95' ' ' TRP . 70.3 p-90 -74.82 118.0 17.3 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 120.828 0.347 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -95.59 155.35 38.69 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.56 157.66 6.92 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.575 2.183 . . . . 0.0 112.293 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -167.61 165.26 14.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.959 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.47 -36.01 75.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -62.59 -33.14 74.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -60.29 -55.12 37.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 34.8 mm -66.86 -35.95 76.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.058 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.45 -53.78 49.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.439 HD22 ' CE2' ' A' ' 108' ' ' TRP . 17.3 mt -61.58 -43.02 99.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.976 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.08 -46.01 89.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.51 -35.84 80.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 17.9 tp -81.47 -31.3 33.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.749 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.455 ' CD2' ' HG3' ' A' ' 141' ' ' GLN . 47.1 m0 -72.06 -13.38 61.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.241 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 107.71 47.57 0.96 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.474 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.436 HG11 ' HB3' ' A' ' 148' ' ' LEU . 21.8 t -141.63 115.74 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.87 0.367 . . . . 0.0 111.112 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -105.55 98.28 7.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.01 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.8 mt -89.64 118.81 29.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.041 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.33 -60.7 1.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -90.88 165.51 21.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.918 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -63.95 137.08 55.86 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.548 2.165 . . . . 0.0 112.203 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.436 HG11 HD23 ' A' ' 121' ' ' LEU . 19.5 t -56.96 145.95 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -88.03 152.73 21.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.821 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.0 t -63.93 -36.49 84.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -60.21 -35.44 75.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -73.42 -43.43 60.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.436 HD23 HG11 ' A' ' 116' ' ' VAL . 0.8 OUTLIER -67.1 -50.42 61.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.1 -35.67 81.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.224 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 27.5 t -61.58 -47.44 85.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.959 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.523 ' CZ ' HD12 ' A' ' 144' ' ' LEU . 1.6 t80 -62.92 -44.4 96.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.006 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 24.3 mt -70.13 -29.97 41.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.1 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.94 -50.85 67.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.076 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -70.25 -32.8 70.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . 0.46 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 3.9 t-105 -66.4 -47.03 74.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.765 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -76.43 -34.47 58.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.849 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.36 -34.62 78.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.057 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -72.53 -45.29 60.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 59.31 45.74 94.96 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.455 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -127.85 -165.44 1.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.81 0.338 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.414 HG13 ' CA ' ' A' ' 90' ' ' ALA . 11.1 t -124.55 142.03 42.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.088 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.46 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 10.0 m-85 -129.4 170.29 13.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -97.06 162.2 13.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . 0.475 ' CE1' HG23 ' A' ' 138' ' ' VAL . 9.8 p80 -59.47 -45.08 92.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.475 HG23 ' CE1' ' A' ' 137' ' ' HIS . 21.4 t -60.51 -33.84 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.182 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -67.49 -44.12 79.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -65.63 -30.72 71.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . 0.455 ' HG3' ' CD2' ' A' ' 108' ' ' TRP . 11.7 tt0 -69.68 -49.42 53.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.096 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -74.63 -41.02 61.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.241 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 13.5 mmmt -58.92 -54.23 49.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.185 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.523 HD12 ' CZ ' ' A' ' 124' ' ' PHE . 0.1 OUTLIER -69.65 -32.92 71.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.13 -179.813 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . 0.417 ' HB2' ' O ' ' A' ' 141' ' ' GLN . . . -66.66 -58.86 4.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.177 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -65.67 -26.25 67.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.049 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 45.6 t -74.55 -35.17 63.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.062 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.436 ' HB3' HG11 ' A' ' 110' ' ' VAL . 11.5 mt -78.08 -51.57 10.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.113 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . 0.409 ' HG3' HG13 ' A' ' 150' ' ' ILE . 4.4 pt20 -60.04 -45.13 93.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.0 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.409 HG13 ' HG3' ' A' ' 149' ' ' GLN . 44.7 mt -80.64 -23.64 11.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.212 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.524 179.913 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.734 ' HB3' HG12 ' A' ' 134' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.802 0.334 . . . . 0.0 111.159 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.408 ' C ' HG13 ' A' ' 134' ' ' VAL . 50.6 p90 -159.98 121.25 3.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.751 ' HB2' HG22 ' A' ' 134' ' ' VAL . . . -88.47 109.11 19.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.157 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 18.3 mtp -75.69 -174.3 2.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -110.92 162.99 18.39 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.57 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -85.01 36.65 0.57 Allowed 'Trans proline' 0 N--CA 1.462 -0.367 0 C-N-CA 122.748 2.299 . . . . 0.0 112.792 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.1 -19.32 11.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.357 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.406 ' O ' ' CE3' ' A' ' 95' ' ' TRP . 37.7 p-90 -50.55 133.4 25.21 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.85 0.357 . . . . 0.0 111.417 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -129.04 157.89 74.48 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.764 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.544 ' HD3' HD21 ' A' ' 121' ' ' LEU . 19.4 Cg_endo -58.81 136.74 75.72 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.573 2.182 . . . . 0.0 112.159 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -160.18 -168.68 2.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.43 -35.13 73.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.2 -33.66 74.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.937 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -65.35 -48.57 72.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 32.9 mm -69.85 -37.41 73.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -44.71 93.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.604 HD13 ' CZ2' ' A' ' 108' ' ' TRP . 17.2 mt -70.74 -42.96 69.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.08 -39.25 85.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.064 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.1 -37.36 85.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.061 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 20.1 tp -81.34 -32.14 33.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.682 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.604 ' CZ2' HD13 ' A' ' 104' ' ' LEU . 51.5 m0 -73.54 -13.49 61.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.22 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 90.5 34.62 7.84 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.523 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.5 t -134.33 116.26 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.744 0.306 . . . . 0.0 111.194 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -114.34 131.13 56.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.116 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.5 mt -84.68 128.43 34.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.47 -36.66 13.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.948 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -119.43 165.81 16.33 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.834 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -63.76 146.13 91.65 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.523 2.148 . . . . 0.0 112.179 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 20.7 t -69.39 147.81 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.237 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 73.1 p -106.26 150.97 25.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 34.1 p -72.09 -35.42 69.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.823 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -59.55 -42.15 91.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -64.02 -45.45 88.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.544 HD21 ' HD3' ' A' ' 97' ' ' PRO . 0.9 OUTLIER -65.94 -40.92 91.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.958 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.95 -38.97 83.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.094 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.7 m -68.41 -44.14 75.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -60.1 -48.8 80.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 49.1 mt -69.0 -32.09 53.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.062 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -66.07 -57.54 7.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.068 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -62.3 -35.3 78.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.773 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . 0.509 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 4.2 t-105 -63.99 -52.59 58.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.682 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -66.93 -37.24 83.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.29 -35.43 76.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.194 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.06 -41.53 98.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.933 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 61.94 31.52 78.77 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.378 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -110.02 -163.3 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.661 0.267 . . . . 0.0 110.818 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.751 HG22 ' HB2' ' A' ' 90' ' ' ALA . 11.4 t -141.79 142.11 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.114 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.509 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 3.7 m-85 -133.47 154.22 50.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.015 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' HIS . . . . . 0.455 ' CD2' ' HG3' ' A' ' 88' ' ' MET . 1.0 OUTLIER -78.84 -179.59 6.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.774 179.765 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . 0.521 ' NE2' HG23 ' A' ' 138' ' ' VAL . 56.3 p-80 -71.27 -44.48 65.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.639 179.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.521 HG23 ' NE2' ' A' ' 137' ' ' HIS . 21.6 t -66.16 -34.07 67.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.808 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -69.32 -40.66 77.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.703 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.454 ' CH2' HD13 ' A' ' 144' ' ' LEU . 20.8 t90 -62.71 -43.71 98.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.857 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . 0.44 ' HB2' ' CD2' ' A' ' 108' ' ' TRP . 4.4 pt20 -70.43 -34.92 73.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.866 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -74.43 -34.2 63.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.97 -54.15 14.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.454 HD13 ' CH2' ' A' ' 140' ' ' TRP . 0.2 OUTLIER -60.2 -43.43 95.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -60.1 -59.28 5.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -60.11 -29.87 68.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 7.1 m -64.29 -51.46 63.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.838 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 79.9 mt -65.07 -31.68 73.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -64.03 -47.4 80.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.819 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 21.2 mt -76.51 -19.96 14.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.323 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.514 179.943 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 22.8 ptm . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.812 0.339 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -153.58 104.39 2.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.697 ' HB2' HG22 ' A' ' 134' ' ' VAL . . . -75.46 124.85 27.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.079 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -120.64 -163.81 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.83 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 5.9 p90 -111.21 154.48 43.58 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.467 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -84.04 29.21 0.55 Allowed 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.746 2.297 . . . . 0.0 113.013 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -113.4 25.73 11.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.576 0.227 . . . . 0.0 111.423 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.435 ' CZ2' HG12 ' A' ' 125' ' ' ILE . 23.1 p-90 -82.3 137.63 34.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.929 0.395 . . . . 0.0 111.226 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.61 92.19 7.27 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.615 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.87 -171.86 1.26 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.602 2.201 . . . . 0.0 112.624 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -168.98 -70.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.624 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -88.14 -36.2 17.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.809 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.18 -25.99 67.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.027 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.441 ' CE1' HG21 ' A' ' 116' ' ' VAL . 9.6 t80 -64.68 -41.41 96.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.859 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 31.0 mt -76.65 -36.63 27.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.143 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.83 -40.36 69.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.807 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 23.2 mt -68.08 -45.04 74.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.768 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.16 -40.44 95.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.032 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.75 -34.25 69.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 19.5 tp -81.44 -30.68 33.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.794 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.419 ' CZ2' ' HG2' ' A' ' 141' ' ' GLN . 46.9 m0 -74.48 -13.29 60.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.302 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 102.03 35.62 3.91 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.519 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 28.7 t -128.79 126.04 64.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.835 0.35 . . . . 0.0 111.033 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -116.04 95.2 4.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.158 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.4 mt -91.05 134.61 34.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -39.4 77.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.923 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.35 164.13 45.07 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.21 160.73 3.07 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.552 2.168 . . . . 0.0 112.244 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.441 HG21 ' CE1' ' A' ' 101' ' ' PHE . 21.9 t -82.63 147.63 5.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 24.2 p -76.57 151.53 36.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.2 t -68.62 -27.91 66.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -57.17 -47.14 81.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.961 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -63.56 -37.82 88.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.819 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 2.7 mt -67.35 -50.3 60.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.1 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.88 -32.57 70.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.163 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.3 p -70.49 -41.3 72.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.763 ' CZ ' HD12 ' A' ' 144' ' ' LEU . 6.4 t80 -63.54 -38.82 92.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.435 HG12 ' CZ2' ' A' ' 95' ' ' TRP . 23.5 mt -70.27 -38.43 74.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.051 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.91 -45.11 95.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.09 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -77.05 -35.0 57.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . 0.493 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 5.6 t-105 -61.29 -47.1 87.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.724 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -73.27 -38.11 66.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.02 -30.88 70.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.135 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -63.23 -49.71 73.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 68.4 43.51 78.06 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.528 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -133.92 -165.93 1.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.889 0.376 . . . . 0.0 110.766 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.697 HG22 ' HB2' ' A' ' 90' ' ' ALA . 20.5 t -127.44 150.41 33.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.177 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.493 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 20.8 m-85 -130.08 153.74 48.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.967 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -87.42 170.02 11.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -60.14 -64.11 1.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 26.7 t -54.53 -35.98 33.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.189 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -63.62 -35.57 80.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.72 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -70.16 -40.01 74.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.926 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . 0.419 ' HG2' ' CZ2' ' A' ' 108' ' ' TRP . 31.0 mt-30 -69.36 -36.94 77.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.098 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -74.9 -50.19 17.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.404 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -54.37 47.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.317 -179.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.763 HD12 ' CZ ' ' A' ' 124' ' ' PHE . 0.1 OUTLIER -62.52 -48.88 77.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.076 -179.716 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -57.41 -58.55 7.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.205 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 2.2 mmt85 -61.21 -29.51 69.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 31.4 t -66.56 -46.88 74.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 41.2 mt -68.78 -28.02 66.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -72.46 -57.69 3.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.951 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -61.79 -27.92 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.046 0.451 . . . . 0.0 111.199 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.421 179.884 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.488 ' HB3' HG12 ' A' ' 134' ' ' VAL . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.798 0.332 . . . . 0.0 111.183 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -144.06 111.19 5.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.989 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.492 ' N ' HG13 ' A' ' 134' ' ' VAL . . . -85.48 -179.88 7.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.028 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 1.7 tmm? -167.14 177.56 6.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -104.52 150.67 38.77 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.624 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -84.2 35.24 0.54 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.691 2.261 . . . . 0.0 112.912 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.38 13.29 18.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.425 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.446 ' CZ2' HG12 ' A' ' 125' ' ' ILE . 26.5 p-90 -78.54 155.98 29.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.895 0.378 . . . . 0.0 111.239 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -131.82 162.19 57.92 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.61 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.39 136.9 70.94 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.421 2.081 . . . . 0.0 112.213 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -136.29 -175.77 4.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.907 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -75.11 -36.68 61.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.055 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.403 ' O ' HD13 ' A' ' 104' ' ' LEU . 0.4 OUTLIER -69.03 -29.25 67.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -64.53 -57.48 9.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.848 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.0 mt -61.8 -37.62 78.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.984 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -47.11 85.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.923 HD23 ' CZ2' ' A' ' 108' ' ' TRP . 7.3 mp -67.54 -42.32 82.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.05 -33.92 74.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -73.19 -39.06 65.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.132 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 17.2 tp -81.39 -29.96 33.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.805 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.923 ' CZ2' HD23 ' A' ' 104' ' ' LEU . 43.8 m0 -68.16 -13.33 62.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.314 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 97.16 42.9 3.14 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.59 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 17.2 t -116.3 110.71 32.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 0.0 111.084 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -111.03 124.38 52.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.1 mp -121.89 142.43 50.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.71 -31.26 36.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.862 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.32 157.87 75.75 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.23 -179.2 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.544 2.163 . . . . 0.0 112.299 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.817 HG23 ' OE1' ' A' ' 120' ' ' GLU . 9.6 p -94.82 145.99 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.043 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.63 165.94 11.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 15.2 p -60.28 -35.97 76.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -61.67 -31.48 71.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.817 ' OE1' HG23 ' A' ' 116' ' ' VAL . 6.6 tt0 -69.77 -48.98 57.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.811 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.488 ' O ' HD12 ' A' ' 125' ' ' ILE . 1.5 mp -68.99 -41.73 77.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.786 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.0 -39.51 92.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.049 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.3 m -65.31 -49.91 67.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.81 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -60.23 -46.08 91.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.488 HD12 ' O ' ' A' ' 121' ' ' LEU . 10.4 mt -69.51 -32.77 54.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.016 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.53 -54.12 50.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.03 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -67.77 -33.8 75.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . 0.506 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 10.6 t-105 -67.67 -39.9 84.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.777 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -75.95 -35.33 59.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.954 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -76.11 -31.43 58.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -66.19 -45.48 80.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 59.51 34.44 81.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.424 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -111.06 -163.85 0.88 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.669 0.271 . . . . 0.0 110.824 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.492 HG13 ' N ' ' A' ' 90' ' ' ALA . 3.9 t -133.82 141.94 42.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.047 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.506 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 9.8 m-85 -129.68 162.58 28.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.966 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' HIS . . . . . 0.419 ' CE1' ' HA ' ' A' ' 88' ' ' MET . 8.9 m-70 -97.84 179.04 4.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.681 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . 0.685 ' CE1' HG23 ' A' ' 138' ' ' VAL . 6.9 p80 -68.34 -47.46 67.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.743 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.685 HG23 ' CE1' ' A' ' 137' ' ' HIS . 39.6 t -69.28 -36.97 74.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.946 0.403 . . . . 0.0 110.771 179.505 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -69.12 -36.89 77.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.961 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 15.8 t90 -66.68 -45.02 80.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . 0.458 ' HB3' ' CZ2' ' A' ' 108' ' ' TRP . 3.8 pt20 -70.52 -30.04 66.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.043 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -78.41 -48.19 15.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.229 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -41.03 96.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.118 -179.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.9 tt -69.83 -48.12 60.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -60.74 -56.89 15.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.196 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -60.74 -30.0 69.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.05 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.3 m -66.77 -52.71 41.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.061 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 29.8 mt -64.76 -29.1 70.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.996 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -67.93 -50.59 55.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.03 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 27.0 pt -69.95 -32.37 51.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.095 0.474 . . . . 0.0 111.236 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.451 -179.98 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.551 ' HB3' HG12 ' A' ' 134' ' ' VAL . 2.5 mmt . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.787 0.327 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -150.92 106.31 3.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.99 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.494 ' N ' HG13 ' A' ' 134' ' ' VAL . . . -83.67 110.48 18.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.042 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.44 -165.04 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -123.11 158.52 57.59 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.269 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -84.68 23.27 0.85 Allowed 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.641 2.227 . . . . 0.0 113.113 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.21 11.86 18.85 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.62 0.23 . . . . 0.0 111.62 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 67.7 p-90 -71.42 131.46 43.39 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 120.896 0.379 . . . . 0.0 111.064 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -110.41 151.02 42.42 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.97 160.74 48.42 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.542 2.161 . . . . 0.0 112.299 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -176.51 -169.81 0.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.913 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.1 -31.89 70.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -59.67 -31.11 69.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.94 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -64.06 -41.2 97.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 17.1 mt -73.68 -34.67 41.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.014 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.77 -41.85 82.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.598 HD13 ' CZ2' ' A' ' 108' ' ' TRP . 16.2 mt -72.3 -43.8 63.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.93 90.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -73.73 -31.25 63.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.148 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 20.2 tp -81.51 -30.64 33.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.793 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.598 ' CZ2' HD13 ' A' ' 104' ' ' LEU . 46.2 m0 -74.22 -13.29 60.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.336 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 108.61 37.53 2.05 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.416 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.701 HG12 HD12 ' A' ' 112' ' ' LEU . 21.3 t -139.98 111.08 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.785 0.326 . . . . 0.0 111.106 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -112.59 110.2 20.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.701 HD12 HG12 ' A' ' 110' ' ' VAL . 1.7 mp -113.59 159.94 19.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.823 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.45 -45.22 9.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -108.02 155.32 40.25 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.69 179.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.565 2.177 . . . . 0.0 112.377 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.538 HG11 HD21 ' A' ' 121' ' ' LEU . 12.5 p -77.83 152.17 5.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.176 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.413 ' O ' HD23 ' A' ' 121' ' ' LEU . 59.3 p -83.82 149.43 26.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.857 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.2 t -68.86 -30.81 69.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -59.19 -48.16 82.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.78 -30.59 69.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.538 HD21 HG11 ' A' ' 116' ' ' VAL . 1.8 mm? -62.4 -57.93 9.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.799 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.83 -39.91 95.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.4 t -59.74 -44.6 93.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.505 ' CZ ' HD12 ' A' ' 144' ' ' LEU . 0.9 OUTLIER -61.45 -48.41 81.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.999 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 53.9 mt -65.75 -32.26 57.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.0 -44.38 96.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.125 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -75.46 -32.15 60.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . 0.487 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 12.8 t-105 -69.44 -40.57 77.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -75.0 -36.64 61.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -76.84 -31.51 56.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.012 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -63.73 -45.46 89.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 59.45 35.32 84.81 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.516 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.46 -164.57 1.04 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.81 0.338 . . . . 0.0 110.785 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.551 HG12 ' HB3' ' A' ' 88' ' ' MET . 4.1 t -132.81 141.96 43.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.974 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.487 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 8.0 m-85 -130.27 149.84 51.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -82.99 -179.13 7.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.723 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . 0.509 ' NE2' HG23 ' A' ' 138' ' ' VAL . 57.3 p-80 -70.52 -40.94 73.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.728 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.509 HG23 ' NE2' ' A' ' 137' ' ' HIS . 21.4 t -70.3 -35.04 60.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.041 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -70.56 -36.43 73.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -67.8 -46.4 72.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.78 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . 0.442 ' HB2' ' CG ' ' A' ' 108' ' ' TRP . 3.9 pt20 -65.51 -41.59 93.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -66.7 -42.22 86.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.53 -49.99 73.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.505 HD12 ' CZ ' ' A' ' 124' ' ' PHE . 0.1 OUTLIER -66.18 -35.93 81.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . 0.423 ' HA ' HG21 ' A' ' 110' ' ' VAL . . . -69.12 -48.73 61.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.189 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.1 -30.38 71.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.001 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 20.5 m -72.58 -44.43 62.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.046 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.442 HD12 ' O ' ' A' ' 144' ' ' LEU . 5.4 mt -74.76 -38.06 62.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.96 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.83 -54.83 7.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.961 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 26.7 mt -73.11 -19.58 18.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.346 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.393 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.486 -179.964 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.689 ' HB3' HG12 ' A' ' 134' ' ' VAL . 2.2 mtt . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.763 0.316 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -132.89 107.0 8.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.007 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.546 ' N ' HG13 ' A' ' 134' ' ' VAL . . . -87.41 110.56 20.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.193 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 22.7 ptp -101.65 -168.12 1.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.769 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.421 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 10.4 p90 -116.53 150.59 45.81 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.664 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 92' ' ' TYR . 3.5 Cg_endo -85.36 35.93 0.53 Allowed 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 122.877 2.384 . . . . 0.0 112.646 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -113.17 20.32 16.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.194 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.451 ' CZ2' HG12 ' A' ' 125' ' ' ILE . 26.0 p-90 -84.72 148.75 26.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.815 0.341 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -116.39 142.4 29.4 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.55 152.89 15.2 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.464 2.11 . . . . 0.0 112.246 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -164.6 -174.45 3.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.77 -37.24 81.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.166 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.57 -32.89 70.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.957 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -60.22 -53.62 55.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 10.8 mt -70.93 -34.83 57.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.054 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.39 -48.84 73.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.8 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.602 HD22 ' CE2' ' A' ' 108' ' ' TRP . 12.4 mt -66.45 -43.01 86.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.34 -44.6 95.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.04 -36.52 83.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.039 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 20.1 tp -81.46 -31.64 32.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.733 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.602 ' CE2' HD22 ' A' ' 104' ' ' LEU . 47.2 m0 -69.67 -13.5 62.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.278 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 109.25 28.55 4.33 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.433 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.4 t -129.3 110.69 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.731 0.3 . . . . 0.0 111.114 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -114.57 106.71 14.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.3 mt -115.18 114.76 25.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.944 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.23 -44.17 89.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.84 144.94 56.53 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.6 -177.68 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.516 2.144 . . . . 0.0 112.258 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 12.6 p -90.76 134.33 29.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 7.3 p -78.39 148.35 33.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.3 t -72.21 -34.14 68.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -66.42 -36.97 84.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -69.13 -44.21 72.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 6.4 mt -64.44 -51.04 65.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.947 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.52 -35.85 76.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 23.3 t -65.9 -41.14 91.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.43 ' CZ ' ' HG ' ' A' ' 144' ' ' LEU . 6.7 t80 -65.13 -53.29 47.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.451 HG12 ' CZ2' ' A' ' 95' ' ' TRP . 6.1 mt -60.39 -37.37 74.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.055 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.29 -55.73 31.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.086 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -65.23 -29.78 70.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . 0.501 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 8.4 t-105 -72.53 -41.18 66.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -74.81 -34.91 62.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.924 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -78.35 -30.92 48.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -67.7 -45.95 73.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.977 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 61.86 33.45 85.44 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.37 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.68 -161.9 0.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.763 0.316 . . . . 0.0 110.757 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.689 HG12 ' HB3' ' A' ' 88' ' ' MET . 3.7 t -142.09 141.96 28.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.945 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.501 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 5.2 m-85 -135.03 159.3 41.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.92 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' HIS . . . . . 0.429 ' CE1' ' HA ' ' A' ' 88' ' ' MET . 3.9 m-70 -95.44 174.83 6.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.739 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . 0.742 ' CE1' HG23 ' A' ' 138' ' ' VAL . 7.8 p80 -61.17 -47.7 84.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.628 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.742 HG23 ' CE1' ' A' ' 137' ' ' HIS . 31.7 t -71.83 -33.82 49.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.617 179.387 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.74 -33.58 72.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.65 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -71.13 -49.66 41.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . 0.448 ' HB2' ' CD2' ' A' ' 108' ' ' TRP . 6.5 pt20 -66.67 -36.13 81.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.915 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . 0.456 ' OE1' HG12 ' A' ' 138' ' ' VAL . 82.9 mt-30 -75.77 -47.56 25.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.027 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 23.0 tttt -60.85 -49.79 76.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.961 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.43 ' HG ' ' CZ ' ' A' ' 124' ' ' PHE . 1.7 tt -61.53 -52.43 64.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -59.11 -49.61 77.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.107 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -65.9 -29.31 69.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.015 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 11.4 m -72.19 -41.92 66.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 79.0 mt -72.55 -34.54 67.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -74.27 -53.48 9.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 38.0 mt -73.98 -18.81 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.388 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.506 -179.944 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.781 0.324 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -147.13 114.05 6.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.939 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.465 ' N ' HG13 ' A' ' 134' ' ' VAL . . . -69.58 -179.93 1.89 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.019 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 11.3 mtm -151.17 -174.52 4.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.788 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 14.2 p90 -109.18 146.31 33.62 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.551 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -83.3 33.01 0.51 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.674 2.249 . . . . 0.0 112.934 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.4 -16.9 12.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.274 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 42.1 p-90 -49.24 146.64 3.57 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.868 0.365 . . . . 0.0 111.458 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.79 165.33 37.37 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.766 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.528 ' HD3' HD21 ' A' ' 121' ' ' LEU . 37.4 Cg_endo -66.05 148.64 85.76 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.485 2.123 . . . . 0.0 112.258 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.38 -168.88 2.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.92 -46.69 80.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.056 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -59.3 -31.26 68.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -61.27 -48.93 79.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 29.8 mm -72.53 -31.21 36.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.51 -52.35 40.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.457 HD22 ' CZ2' ' A' ' 108' ' ' TRP . 21.1 mt -61.76 -45.04 95.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.53 -46.81 87.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.163 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.27 -34.52 77.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 17.5 tp -81.42 -31.89 32.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.723 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.457 ' CZ2' HD22 ' A' ' 104' ' ' LEU . 45.5 m0 -70.53 -13.34 62.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.322 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 107.98 32.17 3.38 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.516 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.5 t -119.83 110.74 30.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 111.122 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -101.76 107.65 18.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.059 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -117.5 121.61 41.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 11.1 mtt85 -85.75 -58.72 2.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -74.78 150.74 86.48 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.04 179.24 0.04 OUTLIER 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.605 2.204 . . . . 0.0 112.306 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 10.8 p -89.95 153.05 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.084 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 18.3 p -106.7 149.75 26.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.9 t -71.47 -32.01 67.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.94 -38.94 93.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -63.91 -46.69 83.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.528 HD21 ' HD3' ' A' ' 97' ' ' PRO . 1.7 mp -63.79 -49.4 73.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -58.75 -30.04 67.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.16 -45.32 60.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.962 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.718 ' CZ ' HD12 ' A' ' 144' ' ' LEU . 7.9 t80 -66.95 -47.34 71.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.983 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 54.6 mt -65.53 -32.62 59.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.975 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.09 -50.05 67.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.018 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.44 ' CD2' ' HG3' ' A' ' 131' ' ' GLU . 34.9 t80 -72.83 -31.23 64.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.828 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . 0.501 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 4.6 t-105 -62.47 -47.73 82.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.714 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -73.97 -43.18 59.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.53 -30.66 71.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.44 ' HG3' ' CD2' ' A' ' 127' ' ' TYR . 0.2 OUTLIER -63.18 -44.27 95.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 65.25 32.61 84.34 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.462 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -120.68 -166.02 1.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.84 0.352 . . . . 0.0 110.776 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.465 HG13 ' N ' ' A' ' 90' ' ' ALA . 12.6 t -139.04 145.36 27.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.106 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.501 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 4.5 m-85 -130.55 149.39 52.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -77.43 177.94 7.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.813 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -61.77 -60.43 3.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.973 0.416 . . . . 0.0 110.823 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 31.9 t -57.39 -34.47 46.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.931 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -64.56 -32.16 73.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.73 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -74.08 -40.81 62.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.79 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . 0.407 ' HG2' ' CZ2' ' A' ' 108' ' ' TRP . 28.1 mt-30 -62.1 -46.41 89.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.95 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.81 -36.09 64.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.02 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -62.72 -53.88 47.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.98 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.718 HD12 ' CZ ' ' A' ' 124' ' ' PHE . 0.1 OUTLIER -67.04 -46.52 74.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.997 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -59.45 -57.97 10.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.193 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 16.5 ttt180 -58.46 -31.5 67.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -64.87 -52.66 55.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.92 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 15.6 mt -69.1 -28.07 66.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.95 -57.82 11.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 31.9 pt -72.58 -32.82 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.068 0.461 . . . . 0.0 111.255 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.549 -179.962 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.726 ' HB3' HG12 ' A' ' 134' ' ' VAL . 3.5 mpp? . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.823 0.344 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -137.04 108.61 6.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.498 ' N ' HG13 ' A' ' 134' ' ' VAL . . . -75.06 109.17 8.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.211 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 24.7 ptm -99.44 -168.63 1.64 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.808 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.43 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 14.0 p90 -118.16 144.16 34.35 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.617 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 92' ' ' TYR . 1.7 Cg_endo -82.51 35.03 0.56 Allowed 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.886 2.391 . . . . 0.0 112.752 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.11 19.74 16.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.644 0.259 . . . . 0.0 111.14 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.433 ' CZ2' HG12 ' A' ' 125' ' ' ILE . 17.1 p-90 -78.89 146.97 33.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.038 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -107.65 148.53 37.47 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.05 148.64 57.16 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.562 2.174 . . . . 0.0 112.274 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -159.16 -175.93 5.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.82 -30.4 68.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.099 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -59.63 -30.82 68.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.63 -58.73 7.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 6.8 mt -66.41 -33.31 62.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.036 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -54.4 42.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.757 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.761 HD13 ' CZ2' ' A' ' 108' ' ' TRP . 14.6 mt -64.39 -43.09 95.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.843 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.36 -35.69 74.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.011 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.69 93.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 18.6 tp -81.45 -29.25 33.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.721 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.761 ' CZ2' HD13 ' A' ' 104' ' ' LEU . 40.7 m0 -68.22 -13.52 62.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.259 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 108.91 40.87 1.5 Allowed Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.508 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.4 t -150.71 110.66 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.857 0.36 . . . . 0.0 111.08 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -97.25 111.13 23.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.3 mt -112.06 108.57 17.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -87.69 -38.5 15.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -97.2 158.45 33.25 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.979 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.68 151.54 19.03 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.515 2.143 . . . . 0.0 112.289 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 10.9 p -79.83 140.89 16.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.31 147.63 53.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 60.8 m -72.41 -39.96 67.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.043 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -57.12 -34.98 68.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.416 ' OE2' HD13 ' A' ' 148' ' ' LEU . 0.0 OUTLIER -66.76 -51.98 49.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 6.7 mp -60.52 -50.19 74.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.39 -38.38 80.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.08 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.1 m -69.66 -31.42 69.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.425 ' CZ ' HD12 ' A' ' 144' ' ' LEU . 0.3 OUTLIER -66.26 -58.29 5.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.433 HG12 ' CZ2' ' A' ' 95' ' ' TRP . 10.5 mt -64.35 -29.9 48.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.056 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.28 -48.71 72.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -72.6 -31.46 65.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 6.4 t-105 -67.83 -48.81 65.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.769 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.95 -31.5 64.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -78.15 -30.64 49.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -72.17 -44.91 62.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 60.82 36.57 92.16 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.45 -163.69 0.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.75 0.31 . . . . 0.0 110.726 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.726 HG12 ' HB3' ' A' ' 88' ' ' MET . 3.4 t -133.72 142.04 42.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -135.02 151.0 50.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.035 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' HIS . . . . . 0.426 ' CG ' ' HA ' ' A' ' 88' ' ' MET . 0.3 OUTLIER -87.29 -171.75 3.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.74 179.759 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -71.3 -51.06 26.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.781 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 27.7 t -62.76 -38.13 80.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.132 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -65.77 -31.96 73.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.721 ' CZ3' HD13 ' A' ' 144' ' ' LEU . 0.8 OUTLIER -72.63 -39.55 67.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.997 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . 0.448 ' HG2' ' CE2' ' A' ' 108' ' ' TRP . 34.2 mt-30 -63.14 -49.68 73.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.07 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -66.97 -34.44 77.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.25 -54.22 40.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.982 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.721 HD13 ' CZ3' ' A' ' 140' ' ' TRP . 0.1 OUTLIER -62.37 -34.72 77.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.1 -179.906 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -71.67 -59.96 2.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.245 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . 0.475 HH21 HG23 ' A' ' 150' ' ' ILE . 0.7 OUTLIER -58.97 -29.89 67.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.036 -179.901 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 32.7 t -69.97 -48.46 58.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.008 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.555 HD23 ' O ' ' A' ' 144' ' ' LEU . 4.1 mm? -67.02 -29.61 69.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.985 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -71.84 -57.85 3.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.958 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.475 HG23 HH21 ' A' ' 146' ' ' ARG . 1.7 pp -60.8 -28.36 43.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.355 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.532 -179.918 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.692 ' HB3' HG12 ' A' ' 134' ' ' VAL . 1.9 mtp . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.835 0.35 . . . . 0.0 111.133 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.405 ' H ' HG12 ' A' ' 134' ' ' VAL . 1.5 m-85 -157.46 112.84 2.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.542 ' N ' HG13 ' A' ' 134' ' ' VAL . . . -94.55 -179.91 5.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.946 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -167.84 -161.94 0.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.41 ' HB2' ' HD2' ' A' ' 93' ' ' PRO . 0.2 OUTLIER -132.58 163.02 53.67 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.23 179.885 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.41 ' HD2' ' HB2' ' A' ' 92' ' ' TYR . 91.0 Cg_endo -81.65 21.95 0.88 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.559 2.173 . . . . 0.0 113.118 -179.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -113.21 19.49 17.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.562 0.22 . . . . 0.0 111.326 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 68.9 p-90 -74.53 143.07 44.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.842 0.353 . . . . 0.0 110.999 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -104.96 142.19 24.12 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.67 158.87 52.46 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.588 2.192 . . . . 0.0 112.256 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -162.73 -178.79 6.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.36 -27.68 62.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.247 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.14 -30.18 61.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.983 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -61.97 -58.49 7.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.5 mt -67.33 -36.76 77.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.199 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.73 -45.98 92.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.832 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.798 HD23 ' CZ2' ' A' ' 108' ' ' TRP . 6.2 mp -73.45 -42.84 61.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.4 -38.95 91.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.17 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -67.41 -36.26 80.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 16.1 tp -81.53 -31.28 32.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.838 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.798 ' CZ2' HD23 ' A' ' 104' ' ' LEU . 54.1 m0 -73.06 -13.51 61.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.33 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 106.71 41.15 1.76 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.537 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 18.3 t -142.07 110.67 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.356 . . . . 0.0 111.072 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -91.16 108.33 19.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.9 mt -102.32 121.34 42.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.832 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -108.81 -38.94 5.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -106.06 140.53 21.34 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.86 153.64 19.34 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.389 2.059 . . . . 0.0 112.206 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.63 HG11 HD13 ' A' ' 121' ' ' LEU . 12.4 p -80.32 139.07 18.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.024 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 43.8 p -65.4 154.78 37.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.5 -39.1 81.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.949 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -60.07 -35.25 74.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.82 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -72.73 -46.12 55.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.63 HD13 HG11 ' A' ' 116' ' ' VAL . 3.8 tp -66.36 -43.53 85.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.48 -39.78 95.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.9 t -67.3 -34.97 78.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -69.54 -45.1 69.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.978 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 17.3 mt -67.03 -44.06 88.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.02 -48.21 80.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.21 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -66.81 -30.8 71.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . 0.466 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 1.6 t-105 -67.94 -50.98 52.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.768 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -73.85 -31.49 63.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.22 -31.06 67.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.101 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.72 -38.68 77.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 59.02 40.86 96.04 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.453 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -118.37 -167.72 1.41 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.879 0.371 . . . . 0.0 110.711 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.692 HG12 ' HB3' ' A' ' 88' ' ' MET . 3.5 t -144.28 142.09 24.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.466 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 0.2 OUTLIER -139.89 161.33 37.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.808 -179.907 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' HIS . . . . . 0.441 ' CD2' ' HG3' ' A' ' 88' ' ' MET . 28.3 m-70 -79.7 -178.02 6.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.767 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 56.6 p-80 -70.98 -39.24 72.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.73 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 28.3 t -66.82 -35.79 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.929 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.51 -38.75 77.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.799 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.717 ' CH2' HD13 ' A' ' 144' ' ' LEU . 22.2 t90 -63.61 -44.55 93.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.689 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . 0.47 ' HB3' ' CZ2' ' A' ' 108' ' ' TRP . 3.9 pt20 -68.22 -42.7 79.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.996 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -66.38 -51.75 53.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.028 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.84 -54.14 49.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.267 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.717 HD13 ' CH2' ' A' ' 140' ' ' TRP . 0.2 OUTLIER -59.61 -49.65 76.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.137 -179.834 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -58.59 -60.05 4.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.286 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . 0.414 ' O ' HG12 ' A' ' 150' ' ' ILE . 5.6 mtm-85 -57.71 -31.75 66.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.719 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.3 m -59.36 -51.05 71.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.751 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 12.1 mt -63.27 -35.14 79.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.481 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.85 -57.85 6.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.835 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.414 HG12 ' O ' ' A' ' 146' ' ' ARG . 17.9 mm -69.39 -20.7 24.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.329 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.406 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.547 -179.952 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.506 ' HB3' HG12 ' A' ' 134' ' ' VAL . 36.3 mtm . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 120.784 0.326 . . . . 0.0 111.261 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -159.39 102.14 1.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.459 ' HB2' HG13 ' A' ' 134' ' ' VAL . . . -81.07 -179.93 7.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.075 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 4.2 ptp -163.68 -157.27 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.705 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.45 ' O ' ' HD1' ' A' ' 95' ' ' TRP . 4.1 p90 -118.01 156.76 49.91 Favored Pre-proline 0 C--N 1.331 -0.237 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 179.599 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -79.75 18.18 1.17 Allowed 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.545 2.163 . . . . 0.0 113.361 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -113.18 22.77 13.98 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.551 0.204 . . . . 0.0 111.551 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.45 ' HD1' ' O ' ' A' ' 92' ' ' TYR . 66.7 p-90 -74.65 116.74 15.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.853 0.358 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -136.62 92.16 15.22 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -82.91 173.39 10.25 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.792 2.328 . . . . 0.0 112.501 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -131.29 -79.8 0.52 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.712 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -88.21 -34.06 17.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.095 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -59.18 -35.43 73.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.981 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -59.94 -57.13 14.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 33.8 mm -65.23 -30.42 50.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.021 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -49.38 62.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 14.0 mt -67.65 -43.15 80.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.57 87.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.042 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.13 -42.23 99.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 20.7 tp -81.45 -28.82 34.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.725 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.442 ' CD2' ' HB2' ' A' ' 141' ' ' GLN . 28.3 m0 -68.1 -13.36 62.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.373 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 108.97 38.16 1.9 Allowed Glycine 0 C--N 1.332 0.326 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.559 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.536 HG12 ' HG ' ' A' ' 112' ' ' LEU . 21.9 t -140.89 110.68 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.817 0.341 . . . . 0.0 111.079 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -91.5 99.63 12.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.088 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.536 ' HG ' HG12 ' A' ' 110' ' ' VAL . 66.5 mt -120.68 148.02 44.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -118.89 -45.44 2.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -84.7 148.92 52.84 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.58 172.65 0.16 Allowed 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.609 2.206 . . . . 0.0 112.306 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.503 HG11 HD21 ' A' ' 121' ' ' LEU . 11.6 p -91.52 131.99 37.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 37.1 p -65.31 154.48 38.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.6 t -67.01 -30.51 70.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.949 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -58.23 -35.02 71.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.928 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -74.14 -48.29 30.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.503 HD21 HG11 ' A' ' 116' ' ' VAL . 3.7 mm? -64.36 -40.18 95.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.51 ' O ' ' HB2' ' A' ' 126' ' ' ALA . . . -69.71 -38.56 76.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.8 m -68.89 -47.2 66.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -61.24 -53.76 52.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 39.7 mt -64.3 -30.7 50.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.987 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' A' ' 122' ' ' ALA . . . -62.8 -56.13 20.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.034 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -67.88 -31.44 71.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.779 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . 0.461 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 8.7 t-105 -63.66 -47.59 80.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.718 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -30.92 61.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.83 -33.11 62.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -67.44 -47.44 70.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 66.77 39.47 93.59 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.498 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.54 -164.91 1.31 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.761 0.315 . . . . 0.0 110.755 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.506 HG12 ' HB3' ' A' ' 88' ' ' MET . 12.2 t -131.71 142.08 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.142 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.461 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 8.0 m-85 -129.38 150.56 50.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' HIS . . . . . 0.412 ' CG ' ' HA ' ' A' ' 88' ' ' MET . 0.3 OUTLIER -79.1 164.91 23.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.896 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -65.12 -39.9 93.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 21.8 t -67.82 -43.25 86.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.079 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -62.19 -37.4 85.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.464 ' CZ3' HD13 ' A' ' 144' ' ' LEU . 5.3 t90 -64.96 -50.6 65.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.943 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . 0.442 ' HB2' ' CD2' ' A' ' 108' ' ' TRP . 4.0 pt20 -66.67 -34.73 78.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.005 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -73.23 -36.58 66.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -75.41 -50.18 16.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.07 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.464 HD13 ' CZ3' ' A' ' 140' ' ' TRP . 0.2 OUTLIER -59.02 -54.24 49.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.04 -179.892 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . 0.481 ' HA ' HG21 ' A' ' 110' ' ' VAL . . . -60.43 -54.32 47.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.213 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -58.96 -31.92 69.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.033 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 45.5 t -67.03 -51.74 51.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.93 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 6.9 mt -60.73 -30.72 70.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.926 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -67.43 -54.21 22.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 30.2 mm -69.24 -19.9 23.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.361 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.56 179.998 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.687 ' HB3' HG12 ' A' ' 134' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.702 0.287 . . . . 0.0 111.183 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -165.64 101.88 0.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.056 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.831 ' HB2' HG13 ' A' ' 134' ' ' VAL . . . -104.26 -179.9 4.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 16.3 ptp -167.58 -165.43 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.712 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -104.8 160.54 25.65 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.518 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -85.69 35.79 0.51 Allowed 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.72 2.28 . . . . 0.0 112.994 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.32 22.26 14.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.563 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.451 ' CZ2' HG12 ' A' ' 125' ' ' ILE . 14.8 p-90 -85.87 135.5 33.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.899 0.38 . . . . 0.0 110.93 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.71 108.74 62.42 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.909 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.81 ' CG ' HD21 ' A' ' 121' ' ' LEU . 98.8 Cg_endo -79.8 155.26 23.6 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.452 2.101 . . . . 0.0 112.324 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -172.76 -76.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.826 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -88.11 -50.2 6.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.055 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -61.14 -28.73 69.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.035 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -63.21 -52.03 63.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.955 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.9 mt -73.8 -30.12 27.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.157 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.82 -45.19 62.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.59 HD13 ' CZ2' ' A' ' 108' ' ' TRP . 15.9 mt -71.79 -44.66 63.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.922 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.31 -42.73 96.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.275 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.55 -37.91 89.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.222 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 19.1 tp -81.44 -28.11 34.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.782 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.59 ' CZ2' HD13 ' A' ' 104' ' ' LEU . 46.2 m0 -75.87 -13.36 60.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.34 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 110.5 37.17 1.8 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.67 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.8 t -143.34 110.64 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.869 0.366 . . . . 0.0 111.051 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -90.92 119.3 31.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.232 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.5 mt -123.42 108.64 12.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.785 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.55 -47.04 7.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.833 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.56 166.58 41.71 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.43 155.69 68.89 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.548 2.165 . . . . 0.0 112.264 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 21.4 t -88.79 148.72 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.9 p -89.56 151.71 21.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.843 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.1 m -72.11 -30.71 65.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.984 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -59.41 -37.0 76.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -72.22 -40.6 67.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.931 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.81 HD21 ' CG ' ' A' ' 97' ' ' PRO . 1.8 tp -68.68 -53.5 21.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.18 -37.67 77.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 93.7 p -61.53 -49.86 75.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -61.98 -44.84 95.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.451 HG12 ' CZ2' ' A' ' 95' ' ' TRP . 15.6 mt -62.6 -45.92 97.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.169 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.9 -44.37 97.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.092 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.44 -35.99 78.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.846 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . 0.515 ' CZ3' ' CZ ' ' A' ' 135' ' ' PHE . 1.8 t-105 -62.48 -40.86 98.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.742 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -70.4 -40.17 74.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.001 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -73.7 -19.32 60.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.465 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -59.2 -49.67 76.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.97 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 60.98 40.79 98.96 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.648 -0.786 . . . . 0.0 112.451 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 5.0 tttm -150.34 142.89 24.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.724 0.297 . . . . 0.0 110.758 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.831 HG13 ' HB2' ' A' ' 90' ' ' ALA . 20.3 t -103.61 141.74 18.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.29 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.515 ' CZ ' ' CZ3' ' A' ' 128' ' ' TRP . 0.1 OUTLIER -143.13 162.3 35.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.703 179.708 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -63.67 178.78 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.917 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -71.35 -38.84 71.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.931 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 26.2 t -58.2 -34.26 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -66.45 -43.86 84.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.452 ' CH2' ' CD1' ' A' ' 144' ' ' LEU . 1.1 t90 -66.12 -29.36 69.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.875 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . 0.447 ' HG3' ' CG ' ' A' ' 108' ' ' TRP . 12.5 tt0 -71.3 -53.92 12.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.971 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -63.89 -37.47 87.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.061 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -65.23 -54.23 32.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.044 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.452 ' CD1' ' CH2' ' A' ' 140' ' ' TRP . 0.8 OUTLIER -62.73 -39.57 94.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.052 -179.878 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -68.94 -49.77 55.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.156 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -63.34 -30.85 71.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.004 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 56.1 p -71.44 -40.18 70.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.002 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 94.8 mt -77.14 -43.52 33.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.998 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -63.27 -51.98 63.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.995 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 18.0 mt -79.72 -19.55 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.466 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.553 -179.86 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.428 ' HB3' HG12 ' A' ' 134' ' ' VAL . 4.0 mtt . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.827 0.346 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -156.49 98.15 1.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.443 ' HB2' HG13 ' A' ' 134' ' ' VAL . . . -78.9 -179.8 6.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.017 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 6.8 mtm -162.73 -170.9 2.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.922 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -123.24 163.17 35.52 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.261 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -85.38 22.04 1.0 Allowed 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.664 2.243 . . . . 0.0 113.128 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.25 27.27 9.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.597 0.237 . . . . 0.0 111.432 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.403 ' CE3' ' HD3' ' A' ' 97' ' ' PRO . 44.9 p-90 -76.42 124.49 27.63 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.871 0.367 . . . . 0.0 110.795 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -97.33 105.21 23.71 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.403 ' HD3' ' CE3' ' A' ' 95' ' ' TRP . 62.4 Cg_endo -72.86 144.97 39.71 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.453 2.102 . . . . 0.0 112.385 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -178.12 -77.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.886 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -88.15 -50.84 6.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.889 0.376 . . . . 0.0 111.272 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.84 -31.15 62.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.198 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.623 ' CE1' HD11 ' A' ' 112' ' ' LEU . 1.6 t80 -62.47 -46.92 86.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.042 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 38.9 mt -74.56 -39.74 47.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -53.71 50.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.693 HD22 ' CZ2' ' A' ' 108' ' ' TRP . 19.9 mt -65.72 -45.06 84.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.97 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.43 ' HB1' ' HB ' ' A' ' 110' ' ' VAL . . . -60.85 -43.85 97.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.08 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.04 -36.01 76.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 17.5 tp -81.35 -35.02 31.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.778 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.693 ' CZ2' HD22 ' A' ' 104' ' ' LEU . 54.9 m0 -73.99 -13.44 60.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.401 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 92.23 39.59 5.36 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.456 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.43 ' HB ' ' HB1' ' A' ' 105' ' ' ALA . 25.5 t -127.7 120.8 55.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.34 . . . . 0.0 111.054 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -108.71 105.74 15.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.623 HD11 ' CE1' ' A' ' 101' ' ' PHE . 1.7 mt -88.92 141.49 28.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.77 -48.49 2.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -108.02 165.49 12.65 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.793 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -68.22 152.7 75.81 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.59 2.193 . . . . 0.0 112.239 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.629 HG23 ' OE1' ' A' ' 120' ' ' GLU . 11.0 p -73.81 135.57 27.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.038 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 70.1 p -67.1 151.43 47.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 19.1 p -62.47 -37.86 87.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.01 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -60.42 -40.81 92.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.629 ' OE1' HG23 ' A' ' 116' ' ' VAL . 0.3 OUTLIER -64.48 -48.6 74.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.9 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 121' ' ' LEU . 2.2 tp -68.48 -48.84 63.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.37 -31.8 69.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.254 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.6 m -74.93 -41.94 58.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.909 ' CZ ' HD12 ' A' ' 144' ' ' LEU . 1.1 t80 -66.84 -47.86 70.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.816 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 52.7 mt -66.88 -40.72 86.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.057 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.08 -55.46 34.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.197 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -66.4 -31.1 71.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.896 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . 0.498 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 5.2 t-105 -72.19 -31.95 66.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.915 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.54 -39.65 45.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -75.32 -30.55 60.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.1 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.06 -49.94 75.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 56.82 36.95 74.93 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.555 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -113.74 -164.42 0.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.725 0.298 . . . . 0.0 110.835 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.443 HG13 ' HB2' ' A' ' 90' ' ' ALA . 10.9 t -139.93 142.05 32.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.027 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.498 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 0.8 OUTLIER -137.13 171.16 14.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.785 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' HIS . . . . . 0.409 ' CD2' ' HA ' ' A' ' 88' ' ' MET . 3.9 m-70 -92.29 177.87 6.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.774 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 21.5 p80 -69.18 -34.22 74.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.932 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.3 -41.52 83.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -67.8 -32.5 73.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.031 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.427 ' CZ3' HD22 ' A' ' 144' ' ' LEU . 9.2 t90 -69.97 -42.37 73.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . 0.447 ' HB3' ' CZ2' ' A' ' 108' ' ' TRP . 8.6 pt20 -73.68 -35.44 65.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.065 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -71.6 -39.47 70.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.162 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -70.37 -54.31 13.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.149 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.909 HD12 ' CZ ' ' A' ' 124' ' ' PHE . 0.2 OUTLIER -59.75 -56.03 26.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.12 -179.775 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . 0.434 ' HA ' HD12 ' A' ' 148' ' ' LEU . . . -55.93 -55.03 37.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.39 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.18 -31.29 68.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.114 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 24.3 m -73.33 -44.94 57.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.895 0.379 . . . . 0.0 111.058 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 145' ' ' ALA . 9.4 mt -59.72 -39.39 84.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.021 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -68.5 -57.85 5.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 31.6 mm -62.6 -18.99 21.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.313 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.509 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.582 ' HB3' HG12 ' A' ' 134' ' ' VAL . 1.6 mpp? . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.826 0.346 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -147.71 114.44 6.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.481 ' N ' HG13 ' A' ' 134' ' ' VAL . . . -89.56 -179.98 5.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.035 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -169.52 -171.46 1.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -118.3 156.16 51.07 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.676 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -85.24 35.4 0.52 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.774 2.316 . . . . 0.0 112.959 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.2 18.99 17.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.293 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.4 ' O ' ' CE3' ' A' ' 95' ' ' TRP . 26.1 p-90 -81.47 145.75 30.58 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 120.845 0.355 . . . . 0.0 111.021 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -110.63 149.76 40.76 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.84 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.9 146.29 58.85 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.587 2.192 . . . . 0.0 112.273 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -158.58 -172.34 3.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.31 -30.56 69.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.077 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.51 -32.5 70.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -62.3 -47.57 83.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 10.6 mt -76.74 -37.57 28.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.086 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -52.12 65.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.44 HD22 ' CZ2' ' A' ' 108' ' ' TRP . 17.1 mt -66.14 -44.26 84.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.15 -42.73 95.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.068 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.17 -36.1 82.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.087 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 16.8 tp -81.47 -30.85 33.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.73 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.44 ' CZ2' HD22 ' A' ' 104' ' ' LEU . 52.8 m0 -72.21 -13.37 61.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.32 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 107.3 37.58 2.27 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.676 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.592 HG21 ' HA ' ' A' ' 145' ' ' ALA . 24.2 t -140.12 119.05 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.813 0.34 . . . . 0.0 111.118 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -98.91 103.24 15.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.1 mt -86.53 118.28 25.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 48.1 mmm-85 -98.11 -59.28 1.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -90.59 150.02 41.77 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.15 159.48 4.07 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.603 2.202 . . . . 0.0 112.363 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 1.005 HG11 HD13 ' A' ' 121' ' ' LEU . 27.7 t -74.71 140.85 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.085 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 76.9 p -91.57 157.93 16.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.5 p -70.64 -41.74 71.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -59.74 -36.99 77.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.52 -50.4 31.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 1.005 HD13 HG11 ' A' ' 116' ' ' VAL . 2.4 tp -61.27 -49.33 77.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.27 -37.89 81.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.4 m -59.73 -48.33 82.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.983 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -60.52 -42.33 96.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.957 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 37.4 mt -71.0 -30.76 42.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.053 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.37 -48.11 79.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -77.11 -31.6 55.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . 0.497 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 4.3 t-105 -63.01 -46.97 85.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.786 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -77.49 -35.38 53.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.876 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.04 -30.76 70.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -70.79 -42.05 70.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 59.38 35.22 84.15 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.407 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.52 -164.85 0.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.807 0.337 . . . . 0.0 110.741 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.582 HG12 ' HB3' ' A' ' 88' ' ' MET . 4.4 t -135.98 142.1 39.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.948 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.497 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 4.2 m-85 -132.24 140.28 48.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.956 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . 0.426 ' CG ' ' HA ' ' A' ' 88' ' ' MET . 2.9 m-70 -68.39 174.25 4.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.62 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . 0.54 ' CE1' HG23 ' A' ' 138' ' ' VAL . 6.9 p80 -63.14 -49.75 73.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.852 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.54 HG23 ' CE1' ' A' ' 137' ' ' HIS . 23.3 t -60.7 -37.8 76.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.804 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.67 -33.79 76.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.519 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.441 ' CZ2' HD11 ' A' ' 144' ' ' LEU . 0.2 OUTLIER -69.07 -42.95 75.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.813 179.819 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.43 ' HG2' ' CZ2' ' A' ' 108' ' ' TRP . 43.3 mt-30 -61.14 -41.32 96.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.038 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -73.38 -42.72 61.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.361 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.73 -53.64 54.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.028 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.441 HD11 ' CZ2' ' A' ' 140' ' ' TRP . 0.2 OUTLIER -67.28 -31.91 72.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.006 -179.833 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 0.592 ' HA ' HG21 ' A' ' 110' ' ' VAL . . . -70.53 -60.07 2.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.169 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.495 ' O ' HD12 ' A' ' 150' ' ' ILE . 3.9 mtm-85 -60.76 -29.01 69.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.929 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.9 m -66.55 -52.48 45.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 83.3 mt -75.06 -30.68 61.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -67.9 -57.78 5.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.968 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.495 HD12 ' O ' ' A' ' 146' ' ' ARG . 6.5 mt -75.39 -19.75 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.328 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -74.88 -44.49 24.41 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.516 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -68.62 -41.82 78.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.822 0.344 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -59.78 -33.21 71.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.7 p -85.24 -35.19 21.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -62.45 99.46 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -151.17 -77.15 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.518 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -80.72 -62.68 2.0 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.524 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 10.9 tp -170.34 102.94 0.43 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.564 0.221 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -68.54 100.95 0.71 Allowed 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.48 2.12 . . . . 0.0 112.343 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 1.9 ttpp -141.63 -67.23 0.4 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.22 71.37 0.55 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.004 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -97.15 96.3 8.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 9.4 p -109.85 -24.75 3.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.24 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 62.33 176.44 0.13 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.908 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 19.0 p 53.81 71.29 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.053 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 15.3 t -134.86 147.43 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.073 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 31.3 m -98.6 36.97 1.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.071 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 59.86 95.7 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.34 142.26 36.9 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.464 2.11 . . . . 0.0 112.317 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -105.48 30.03 6.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.96 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 13.5 m 59.66 46.86 11.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -88.55 176.67 7.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 6.3 mt 51.43 79.14 0.36 Allowed Pre-proline 0 C--N 1.331 -0.21 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.244 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.3 166.71 28.4 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.597 2.198 . . . . 0.0 112.351 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.28 176.08 7.65 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.593 2.195 . . . . 0.0 112.362 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . -176.73 -147.65 6.67 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -107.3 -41.53 5.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.331 . . . . 0.0 110.866 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 60.91 111.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.082 0 CA-C-O 118.403 -1.221 . . . . 0.0 112.517 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.472 ' HB3' HG12 ' A' ' 134' ' ' VAL . 2.1 mtp . . . . . 0 N--CA 1.488 1.447 0 CA-C-O 120.835 0.35 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.407 ' CD1' ' O ' ' A' ' 88' ' ' MET . 55.8 m-85 -152.07 111.96 4.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.953 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.556 ' HB2' HG22 ' A' ' 134' ' ' VAL . . . -97.6 169.48 9.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.032 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 9.0 mtm -144.56 -166.52 2.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -119.37 155.44 53.92 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.765 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -87.52 39.57 0.57 Allowed 'Trans proline' 0 N--CA 1.459 -0.502 0 C-N-CA 122.901 2.4 . . . . 0.0 112.684 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -112.55 -15.49 13.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.308 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 40.0 p-90 -53.64 151.55 5.96 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.867 0.365 . . . . 0.0 111.184 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -136.79 149.68 67.63 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.91 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.22 151.44 17.17 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.534 2.156 . . . . 0.0 112.311 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -172.56 -176.4 1.52 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.24 -31.39 70.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.031 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -63.07 -31.81 73.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.463 ' CZ ' HD21 ' A' ' 144' ' ' LEU . 0.1 OUTLIER -61.42 -50.62 72.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 33.7 mm -69.19 -35.81 69.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.27 -50.5 73.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.808 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.509 HD13 ' CZ2' ' A' ' 108' ' ' TRP . 13.0 mt -68.51 -41.85 79.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.81 -37.54 87.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.163 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.98 -43.02 89.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.185 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 20.0 tp -81.39 -27.95 34.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.818 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.509 ' CZ2' HD13 ' A' ' 104' ' ' LEU . 26.1 m0 -68.15 -13.48 62.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.279 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 99.41 43.62 2.5 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.5 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 17.5 t -136.61 110.71 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.849 0.357 . . . . 0.0 111.052 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -81.32 116.83 21.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.057 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.439 ' N ' HD22 ' A' ' 112' ' ' LEU . 3.8 mm? -75.06 114.02 13.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.62 -31.24 10.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -133.97 159.44 72.39 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.08 165.55 23.74 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.58 2.187 . . . . 0.0 112.247 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 26.5 t -78.41 120.24 28.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.082 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 22.9 p -87.11 153.57 21.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 7.4 m -69.06 -31.38 70.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -60.86 -43.68 98.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -68.57 -45.25 72.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 40.4 mt -61.72 -48.5 80.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.948 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.12 -43.82 97.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.137 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 26.5 p -61.98 -32.63 73.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -70.47 -51.06 31.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 47.3 mt -68.19 -30.49 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.136 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.69 -58.08 6.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.123 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -67.77 -35.38 78.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.983 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . 0.499 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 4.5 t-105 -69.9 -42.08 73.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.707 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -75.37 -36.23 60.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.931 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.3 -44.94 82.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -63.03 -49.3 75.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.982 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 62.7 36.57 93.47 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.421 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -102.19 -162.66 0.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.819 0.342 . . . . 0.0 110.756 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.556 HG22 ' HB2' ' A' ' 90' ' ' ALA . 16.6 t -134.22 141.91 42.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.173 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.499 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 6.6 m-85 -130.17 163.46 26.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -90.59 178.46 6.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.757 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 33.0 t60 -61.2 -56.39 21.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.818 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 26.5 t -62.77 -34.96 68.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.99 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -63.08 -46.08 89.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.776 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.624 ' CZ3' HD13 ' A' ' 144' ' ' LEU . 1.7 t90 -62.83 -38.46 90.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.574 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.439 ' HG3' ' CD2' ' A' ' 108' ' ' TRP . 12.8 tt0 -61.82 -52.61 63.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.831 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -65.86 -30.45 71.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.58 -54.27 45.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.996 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.624 HD13 ' CZ3' ' A' ' 140' ' ' TRP . 0.1 OUTLIER -67.17 -42.44 84.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -61.33 -50.62 72.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.049 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.65 -32.45 72.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.765 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.4 t -65.1 -52.53 54.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 9.4 mt -62.41 -30.02 70.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.828 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -65.54 -57.58 7.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 38.7 mm -64.97 -21.76 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.311 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -80.7 -43.66 8.97 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.474 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.56 -45.2 69.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.814 0.34 . . . . 0.0 110.889 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -62.39 -44.68 95.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 45.0 t -69.62 -28.3 65.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 3.6 m120 62.51 161.83 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -157.1 131.54 2.96 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.531 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 175.17 -126.3 1.16 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.533 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.433 ' N ' ' HD2' ' A' ' 159' ' ' PRO . 0.2 OUTLIER -69.91 -60.05 3.96 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 120.561 0.22 . . . . 0.0 111.001 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . 0.433 ' HD2' ' N ' ' A' ' 158' ' ' LEU . 46.6 Cg_endo -68.67 96.51 0.51 Allowed 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.395 2.063 . . . . 0.0 112.303 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 3.3 mttm -79.44 139.26 37.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 8.3 mtt180 -136.54 28.13 3.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.982 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -138.01 145.83 42.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.805 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . 0.418 HG23 ' N ' ' A' ' 164' ' ' ASN . 4.6 m -146.45 -49.84 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.345 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . 0.418 ' N ' HG23 ' A' ' 163' ' ' VAL . 46.7 p30 -178.26 -176.42 0.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.099 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' THR . . . . . 0.408 ' CG2' ' O ' ' A' ' 164' ' ' ASN . 9.2 t 44.87 54.08 7.03 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.491 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 4.9 m -94.33 -32.4 4.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.895 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 4.2 m 60.0 170.95 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -122.86 158.22 57.8 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.13 -173.73 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.598 2.199 . . . . 0.0 112.307 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -140.52 141.66 35.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 1.5 p -93.7 125.68 38.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.841 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -78.89 -177.53 5.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.961 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . 0.429 ' O ' HG22 ' A' ' 173' ' ' ILE . 3.1 mt 54.47 71.7 1.27 Allowed Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.237 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.63 106.56 0.16 Allowed 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.582 2.188 . . . . 0.0 112.356 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -56.32 140.66 88.65 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.507 2.138 . . . . 0.0 112.206 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 164.17 -148.19 14.15 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.543 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER 61.49 168.59 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.867 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.1 178.22 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.441 -1.199 . . . . 0.0 112.439 179.888 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.725 ' HB3' HG12 ' A' ' 134' ' ' VAL . 1.6 mtp . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.71 0.291 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.413 ' C ' HG13 ' A' ' 134' ' ' VAL . 1.4 p90 -167.16 124.94 1.26 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.914 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.461 ' N ' HG13 ' A' ' 134' ' ' VAL . . . -88.67 108.87 19.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.249 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 18.1 mtp -76.8 -174.64 3.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -113.38 163.5 18.18 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.682 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -86.11 38.08 0.58 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.836 2.357 . . . . 0.0 112.649 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.15 -17.57 12.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.306 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.405 ' O ' ' CE3' ' A' ' 95' ' ' TRP . 37.8 p-90 -52.42 137.29 29.85 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.831 0.348 . . . . 0.0 111.294 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -132.35 167.68 21.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.833 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.41 145.92 54.73 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.491 2.128 . . . . 0.0 112.353 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -165.73 -170.97 1.93 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.76 -42.07 96.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.048 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -60.19 -31.85 70.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.413 ' CE1' HD21 ' A' ' 144' ' ' LEU . 46.6 t80 -64.53 -42.71 95.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 34.1 mt -75.29 -33.22 27.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -53.22 41.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.88 HD23 ' CZ2' ' A' ' 108' ' ' TRP . 6.9 mp -64.41 -42.79 95.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.782 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.98 -41.5 98.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.113 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.1 -34.65 76.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 19.7 tp -81.52 -31.55 32.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.673 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.88 ' CZ2' HD23 ' A' ' 104' ' ' LEU . 51.5 m0 -72.62 -13.41 61.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.307 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 105.53 47.3 1.13 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.439 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.5 t -139.23 114.28 8.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.766 0.317 . . . . 0.0 111.2 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -104.96 118.79 37.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.042 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.8 150.83 42.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.86 -44.58 4.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.5 163.26 17.37 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.01 145.16 66.69 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.583 2.189 . . . . 0.0 112.362 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 21.2 t -62.68 139.96 20.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.096 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 22.9 p -75.82 157.69 33.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.825 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 11.7 p -70.92 -28.63 64.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -57.78 -42.13 83.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.036 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.461 ' OE1' HD23 ' A' ' 148' ' ' LEU . 11.2 tt0 -67.02 -44.27 80.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 11.0 mp -65.54 -46.69 78.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.985 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.24 -38.11 89.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.061 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 22.6 m -68.87 -33.43 73.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.859 ' CZ ' HD12 ' A' ' 144' ' ' LEU . 1.4 t80 -69.58 -43.51 72.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 26.9 mt -69.67 -33.5 56.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.17 -49.26 70.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.03 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -73.53 -31.91 63.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . 0.504 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 5.2 t-105 -67.26 -45.98 75.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.717 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -76.05 -34.0 59.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.43 -30.81 64.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.079 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -68.53 -39.9 80.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 59.77 45.49 95.67 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.525 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.46 -164.76 1.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.836 0.35 . . . . 0.0 110.766 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.725 HG12 ' HB3' ' A' ' 88' ' ' MET . 4.3 t -141.21 142.11 29.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.998 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.504 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 3.6 m-85 -132.48 160.03 37.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.865 0.364 . . . . 0.0 111.05 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . 0.442 ' CD2' ' HG3' ' A' ' 88' ' ' MET . 0.5 OUTLIER -87.83 177.61 6.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.768 179.817 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -63.0 -46.26 88.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 21.3 t -63.32 -37.97 80.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.937 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -66.86 -32.4 73.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.687 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 9.4 t90 -69.39 -43.83 72.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.448 ' HB2' ' CD2' ' A' ' 108' ' ' TRP . 2.9 pt20 -73.83 -30.46 62.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.959 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -75.03 -46.92 31.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.03 -54.41 38.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.935 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.859 HD12 ' CZ ' ' A' ' 124' ' ' PHE . 0.2 OUTLIER -58.97 -48.0 83.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.011 -179.83 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -59.11 -52.7 64.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.11 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -30.53 71.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.963 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 5.7 t -69.68 -48.0 61.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.461 HD23 ' OE1' ' A' ' 120' ' ' GLU . 3.4 mt -66.39 -29.65 69.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -66.96 -57.85 6.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.052 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -67.43 -27.25 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.297 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -65.53 -47.99 72.57 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.438 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -81.49 -32.09 32.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.815 0.341 . . . . 0.0 110.886 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -68.86 -35.18 76.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 58.1 m -85.63 -31.79 22.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -92.31 147.83 22.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 166.2 83.09 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.492 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 156.06 101.47 0.19 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.489 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 1.2 tp -121.19 128.05 25.89 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 120.592 0.234 . . . . 0.0 110.785 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -72.97 74.85 2.84 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.452 2.102 . . . . 0.0 112.267 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 7.8 mttp 63.01 145.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.42 92.93 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -129.66 139.03 51.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . 0.484 HG13 ' N ' ' A' ' 164' ' ' ASN . 12.6 p -137.68 -45.39 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . 0.484 ' N ' HG13 ' A' ' 163' ' ' VAL . 0.5 OUTLIER -114.04 159.68 19.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.895 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 1.4 m 60.75 92.72 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 21.5 t -132.08 -46.06 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.176 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 3.3 m -152.9 80.2 1.21 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -120.08 87.52 39.31 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.903 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.65 81.4 1.04 Allowed 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.505 2.137 . . . . 0.0 112.337 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -176.87 -48.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 8.6 p 61.63 149.16 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.022 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 62.45 119.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.021 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . 0.485 ' HB ' ' HD3' ' A' ' 174' ' ' PRO . 15.9 mt -81.44 -47.84 1.05 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.478 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' PRO . . . . . 0.485 ' HD3' ' HB ' ' A' ' 173' ' ' ILE . 88.2 Cg_endo -82.53 165.43 16.14 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.439 2.093 . . . . 0.0 112.456 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -71.97 110.76 3.0 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.681 2.254 . . . . 0.0 112.287 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . -121.96 -162.09 11.5 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.477 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -88.28 -46.23 9.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.859 0.361 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 10.8 ttm180 61.15 83.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.398 -1.223 . . . . 0.0 112.532 -179.967 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.408 ' HB2' HG12 ' A' ' 134' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.788 0.328 . . . . 0.0 111.113 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -160.12 120.69 2.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.428 ' HB2' HG22 ' A' ' 134' ' ' VAL . . . -81.08 -179.88 7.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.03 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -173.77 -165.84 0.27 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.812 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 10.4 p90 -114.46 149.41 42.14 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.623 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -84.93 35.49 0.53 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.72 2.28 . . . . 0.0 112.787 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -113.19 9.99 18.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.477 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.462 ' CZ2' HG12 ' A' ' 125' ' ' ILE . 38.0 p-90 -71.88 140.14 49.16 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 120.849 0.357 . . . . 0.0 110.852 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -107.68 145.43 31.31 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.32 143.74 52.31 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.546 2.164 . . . . 0.0 112.318 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -152.45 -176.85 5.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.29 -30.64 68.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.137 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -59.49 -32.31 70.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.96 -52.94 62.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 19.5 mt -73.03 -30.55 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.027 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.45 -52.22 59.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.945 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.761 HD23 ' CZ2' ' A' ' 108' ' ' TRP . 6.9 mp -66.24 -46.25 77.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.71 -32.16 73.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.28 -32.74 49.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.159 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 17.5 tp -81.47 -30.99 33.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.672 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.761 ' CZ2' HD23 ' A' ' 104' ' ' LEU . 52.9 m0 -74.84 -13.42 60.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.235 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 95.75 35.38 5.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.539 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.5 t -112.61 110.64 32.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.833 0.349 . . . . 0.0 111.088 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -120.06 129.8 54.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.091 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.4 mp -102.6 159.22 15.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -101.28 -40.53 7.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -123.88 160.58 51.01 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.79 125.06 11.69 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.593 2.195 . . . . 0.0 112.322 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.484 HG12 ' N ' ' A' ' 117' ' ' THR . 27.9 t -75.29 158.49 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.029 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.484 ' N ' HG12 ' A' ' 116' ' ' VAL . 0.2 OUTLIER -102.97 170.4 7.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.943 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 71.8 p -61.87 -23.2 66.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.062 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -53.56 -43.56 68.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.1 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -65.75 -49.01 69.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 13.4 mt -60.39 -49.99 75.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.45 -32.65 70.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.17 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.05 -41.93 85.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.99 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -67.03 -48.04 69.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.008 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.462 HG12 ' CZ2' ' A' ' 95' ' ' TRP . 49.2 mt -59.89 -43.96 93.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.023 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.43 -45.56 91.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.053 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -67.56 -35.51 79.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . 0.424 ' CE3' ' CE2' ' A' ' 135' ' ' PHE . 6.5 t-105 -65.95 -52.33 50.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.772 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.07 -30.48 66.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.937 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.34 -40.4 62.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.119 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -59.95 -39.57 86.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 59.47 38.08 93.01 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.412 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.14 -165.4 1.4 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.822 0.344 . . . . 0.0 110.824 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.428 HG22 ' HB2' ' A' ' 90' ' ' ALA . 20.2 t -131.92 141.96 44.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.107 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.424 ' CE2' ' CE3' ' A' ' 128' ' ' TRP . 6.0 m-85 -128.44 156.96 42.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.987 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . 0.416 ' CD2' ' N ' ' A' ' 136' ' ' HIS . 5.2 m170 -87.7 171.81 10.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -67.13 -45.1 78.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.819 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.14 -32.88 57.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.996 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -71.25 -38.96 71.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.757 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 25.3 t90 -65.58 -44.29 87.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.811 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.468 ' HB3' ' CZ2' ' A' ' 108' ' ' TRP . 4.2 pt20 -70.93 -42.89 69.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.043 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -62.96 -50.57 70.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.256 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.58 -54.16 50.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.293 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.93 -43.79 86.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.219 -179.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -66.84 -60.12 2.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.42 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 1.2 mmt-85 -58.46 -30.29 66.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.162 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 36.9 t -71.1 -52.64 18.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.057 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 65.8 mt -59.79 -30.04 68.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -54.27 15.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 28.5 mm -69.54 -20.51 23.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.329 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -74.68 -47.07 16.1 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.477 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -70.92 -27.96 64.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.808 0.337 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -55.06 -30.47 59.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.257 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.47 -41.78 6.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 59.93 31.77 20.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 103.7 169.46 25.45 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.498 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -172.26 -81.03 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.497 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.417 ' N ' ' HD2' ' A' ' 159' ' ' PRO . 4.0 mm? -69.89 -61.26 3.07 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 120.633 0.254 . . . . 0.0 110.962 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . 0.417 ' HD2' ' N ' ' A' ' 158' ' ' LEU . 46.5 Cg_endo -68.63 154.51 71.32 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.433 2.088 . . . . 0.0 112.284 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -114.7 -178.32 3.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -64.51 109.46 1.97 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.81 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.79 114.01 14.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 21.4 t -101.2 120.39 50.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 18.2 p-10 -67.24 124.38 22.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 22.4 p 53.26 86.05 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 10.7 p -136.58 141.65 40.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 4.3 t -140.92 138.86 34.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.843 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' GLU . . . . . 0.426 ' CB ' ' HD3' ' A' ' 169' ' ' PRO . 0.4 OUTLIER -67.11 -52.11 32.32 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.924 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' PRO . . . . . 0.426 ' HD3' ' CB ' ' A' ' 168' ' ' GLU . 24.0 Cg_exo -63.5 104.59 0.45 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.495 2.13 . . . . 0.0 112.127 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -161.11 150.17 16.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.928 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.23 165.21 14.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -129.25 74.3 1.57 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . 0.498 ' N ' ' CD ' ' A' ' 174' ' ' PRO . 1.7 mp -83.52 -45.89 0.81 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.406 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 173' ' ' ILE . 33.6 Cg_exo -58.12 140.28 93.55 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.38 2.054 . . . . 0.0 112.19 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.61 114.29 3.93 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.445 2.096 . . . . 0.0 112.357 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 177.8 -164.45 33.43 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.592 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -146.49 -54.54 0.25 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.79 0.329 . . . . 0.0 110.932 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 54.7 mtm-85 -86.6 -33.86 20.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.09 0 CA-C-O 118.355 -1.247 . . . . 0.0 112.506 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.663 ' HB3' HG12 ' A' ' 134' ' ' VAL . 6.3 mtp . . . . . 0 N--CA 1.489 1.483 0 CA-C-O 120.835 0.35 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -146.74 110.39 4.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.535 ' HB2' HG22 ' A' ' 134' ' ' VAL . . . -79.77 104.68 10.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.126 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 4.4 mmm -76.79 -170.49 1.61 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -115.06 141.98 27.81 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.545 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -84.92 34.12 0.5 Allowed 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.683 2.256 . . . . 0.0 112.899 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.24 -8.54 13.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.385 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 50.0 p-90 -53.53 140.26 28.87 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 120.936 0.398 . . . . 0.0 111.191 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -103.94 154.62 37.96 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.822 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.86 141.05 63.52 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.562 2.175 . . . . 0.0 112.254 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -157.15 179.41 9.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.03 -29.76 71.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.136 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -58.65 -31.31 68.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.44 ' CZ ' HD11 ' A' ' 144' ' ' LEU . 0.3 OUTLIER -64.73 -44.11 91.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 32.9 mt -73.9 -34.49 39.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.085 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.47 -55.38 34.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.602 HD13 ' CZ2' ' A' ' 108' ' ' TRP . 15.9 mt -63.9 -44.5 92.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.53 -42.49 98.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.137 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.32 -38.88 91.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 18.4 tp -81.54 -31.28 32.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.729 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.602 ' CZ2' HD13 ' A' ' 104' ' ' LEU . 46.5 m0 -70.96 -13.43 62.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.311 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 109.27 43.12 1.2 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.454 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.6 t -128.49 118.39 47.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.789 0.328 . . . . 0.0 111.117 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -118.18 95.52 4.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 23.0 mt -93.66 128.5 39.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.956 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -60.55 2.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -90.55 160.72 38.45 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.3 173.16 0.13 Allowed 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.557 2.171 . . . . 0.0 112.35 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.443 ' O ' HG13 ' A' ' 116' ' ' VAL . 11.3 p -77.09 123.72 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.163 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -93.07 160.59 14.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.25 -29.25 63.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.96 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -57.03 -47.3 81.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.08 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -66.82 -44.33 81.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.808 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 13.2 mt -62.81 -51.78 65.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -58.39 -33.63 69.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 15.0 t -64.84 -47.37 78.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.436 ' CE1' ' HG ' ' A' ' 144' ' ' LEU . 54.1 t80 -62.69 -48.04 81.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.949 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 54.9 mt -64.19 -32.89 59.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.996 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.51 -41.5 93.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -77.0 -35.76 56.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . 0.502 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 8.7 t-105 -66.39 -38.5 87.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.793 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -74.0 -43.71 57.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.25 -31.37 69.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.067 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.46 -49.98 71.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 58.72 34.04 75.34 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.562 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.33 -164.13 0.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.775 0.321 . . . . 0.0 110.796 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.663 HG12 ' HB3' ' A' ' 88' ' ' MET . 4.8 t -139.14 142.07 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.502 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 0.6 OUTLIER -139.77 171.17 14.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.948 -179.894 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . 0.443 ' CE1' ' HG3' ' A' ' 88' ' ' MET . 4.1 m-70 -95.32 -169.08 1.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.623 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . 0.453 ' CE1' HG23 ' A' ' 138' ' ' VAL . 7.8 p80 -71.3 -45.14 63.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.713 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.453 HG23 ' CE1' ' A' ' 137' ' ' HIS . 21.7 t -63.97 -43.06 97.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.972 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -60.79 -38.94 87.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.766 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.419 ' CZ3' HD12 ' A' ' 144' ' ' LEU . 1.1 t90 -67.7 -34.67 77.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.574 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.429 ' HG3' ' CG ' ' A' ' 108' ' ' TRP . 13.1 tt0 -65.14 -58.07 6.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.919 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -60.47 -35.3 75.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.975 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt -65.06 -54.06 36.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.968 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.746 HD22 HD11 ' A' ' 148' ' ' LEU . 0.4 OUTLIER -65.28 -42.05 93.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.007 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -58.65 -60.01 4.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.229 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 31.7 mtt85 -59.05 -30.13 67.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.042 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 10.6 t -70.47 -36.66 74.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.746 HD11 HD22 ' A' ' 144' ' ' LEU . 14.5 mt -79.91 -35.23 38.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.959 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.56 -49.73 24.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.964 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 23.9 mt -81.77 -20.58 10.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.392 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -79.81 -41.61 12.41 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.78 -31.25 61.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.815 0.341 . . . . 0.0 110.937 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -75.18 -30.52 60.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 27.1 m -90.97 -34.05 15.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -116.86 48.39 1.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -145.98 28.09 1.72 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.442 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -107.43 -27.09 5.4 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.546 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.94 108.16 44.72 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 120.544 0.211 . . . . 0.0 110.889 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -50.5 173.43 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.403 2.069 . . . . 0.0 112.448 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.93 114.08 18.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -93.6 162.11 14.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -126.72 152.75 46.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 11.1 p -141.57 140.95 30.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 25.7 m120 60.68 162.99 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' THR . . . . . 0.403 HG23 ' O ' ' A' ' 165' ' ' THR . 3.2 t -94.73 104.51 16.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 3.7 m -97.99 84.05 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.185 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.63 35.43 4.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -138.42 149.82 64.27 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.93 78.37 1.07 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.527 2.152 . . . . 0.0 112.261 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.29 -31.77 7.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.819 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.0 -80.04 0.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.884 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -178.71 114.7 0.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 2.4 mp 48.25 85.21 0.18 Allowed Pre-proline 0 CA--C 1.53 0.2 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.341 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' A' ' 175' ' ' PRO . 50.6 Cg_exo -53.2 148.56 31.32 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.506 2.137 . . . . 0.0 112.308 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 174' ' ' PRO . 50.3 Cg_exo -53.61 -60.03 0.79 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.488 2.125 . . . . 0.0 112.299 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . -59.23 104.49 0.54 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.549 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -84.93 110.93 19.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.75 0.31 . . . . 0.0 110.854 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 7.0 mmt180 -78.68 -51.34 9.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.845 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.027 0 CA-C-O 118.341 -1.255 . . . . 0.0 112.472 -179.969 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.626 ' HB3' HG12 ' A' ' 134' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.856 0.36 . . . . 0.0 111.195 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -139.66 110.54 6.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.938 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.836 ' HB2' HG13 ' A' ' 134' ' ' VAL . . . -106.17 179.57 4.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 7.0 ptp -174.01 -172.56 0.73 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.809 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -94.44 163.68 22.25 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.685 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -87.11 39.59 0.61 Allowed 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 122.837 2.358 . . . . 0.0 112.57 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -110.38 -9.14 14.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.712 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.492 ' CZ2' HG12 ' A' ' 125' ' ' ILE . 29.1 p-90 -61.47 145.91 50.26 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 120.793 0.33 . . . . 0.0 110.945 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -120.42 154.13 56.44 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -68.84 146.12 64.82 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.638 2.225 . . . . 0.0 112.271 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.0 -171.14 3.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.76 -33.68 72.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.075 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -60.53 -30.89 70.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.751 ' CZ ' HD21 ' A' ' 144' ' ' LEU . 9.3 t80 -60.54 -50.22 74.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 33.8 mt -76.16 -35.73 29.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.175 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -46.14 83.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.419 HD22 ' CZ2' ' A' ' 108' ' ' TRP . 18.1 mt -69.54 -43.45 72.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.3 -34.92 74.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.59 -39.12 88.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.045 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 20.2 tp -81.44 -29.67 33.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.755 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.442 ' CD2' ' HB2' ' A' ' 141' ' ' GLN . 52.0 m0 -73.03 -13.44 61.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.28 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 107.0 47.97 0.98 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.591 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.6 t -141.11 125.68 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.82 0.343 . . . . 0.0 111.148 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -111.04 104.35 12.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.052 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 45.3 mt -118.93 118.36 31.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.31 -34.11 63.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.2 163.41 20.13 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -65.04 174.51 4.74 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.532 2.155 . . . . 0.0 112.265 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 21.1 t -67.1 154.71 7.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.138 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.55 161.16 13.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.872 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.5 p -65.7 -42.81 90.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -59.01 -40.17 84.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -48.42 72.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.7 -40.9 88.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.09 -37.23 79.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.124 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.2 m -74.03 -35.08 64.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.775 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.588 ' CZ ' HD12 ' A' ' 144' ' ' LEU . 3.0 t80 -66.1 -58.85 4.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.492 HG12 ' CZ2' ' A' ' 95' ' ' TRP . 63.6 mt -60.38 -41.47 87.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.72 -59.07 6.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.081 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -64.26 -30.95 71.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.745 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . 0.501 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 9.2 t-105 -67.09 -41.89 85.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.766 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -76.3 -42.99 43.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.43 -30.83 71.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.071 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.65 -49.95 75.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 67.96 37.24 87.67 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.521 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -129.12 -166.18 1.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.752 0.31 . . . . 0.0 110.753 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.836 HG13 ' HB2' ' A' ' 90' ' ' ALA . 2.8 t -130.99 142.06 44.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.048 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.501 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 12.9 m-85 -124.54 148.17 47.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.957 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . 0.43 ' CG ' ' HA ' ' A' ' 88' ' ' MET . 1.8 m-70 -88.34 -173.3 4.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 21.3 m-70 -67.74 -44.01 78.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 26.5 t -67.71 -40.76 84.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.044 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -66.13 -36.75 83.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 13.9 t90 -65.88 -45.28 82.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.442 ' HB2' ' CD2' ' A' ' 108' ' ' TRP . 4.2 pt20 -73.06 -41.0 64.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.068 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.38 -49.9 67.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.04 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.31 -53.21 60.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.97 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.751 HD21 ' CZ ' ' A' ' 101' ' ' PHE . 0.3 OUTLIER -59.55 -47.84 83.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.93 -179.88 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -60.42 -43.96 96.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.64 -29.09 66.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.95 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.2 m -72.08 -44.35 63.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.972 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.44 ' CD1' HD23 ' A' ' 144' ' ' LEU . 34.7 mt -71.61 -36.1 70.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.976 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -63.66 -56.04 18.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.0 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 29.7 mt -78.02 -19.68 13.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.412 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -74.54 -32.39 57.65 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.548 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.71 -27.88 33.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.763 0.316 . . . . 0.0 111.012 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -74.67 -58.44 3.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.44 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.92 -41.84 6.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.147 -179.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 57.6 t30 63.48 67.18 0.66 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.814 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 130.54 -93.63 0.31 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.44 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 164.42 78.16 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.453 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 7.6 mt -90.56 142.33 27.93 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.604 0.24 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.85 92.84 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.541 2.16 . . . . 0.0 112.224 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -31.48 72.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.832 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . 0.482 ' O ' HG21 ' A' ' 166' ' ' VAL . 0.5 OUTLIER -169.44 78.62 0.11 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.795 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -91.5 105.48 17.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . 0.447 HG13 ' N ' ' A' ' 164' ' ' ASN . 11.2 p -167.62 -43.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . 0.75 ' O ' HG23 ' A' ' 166' ' ' VAL . 3.6 m-20 -166.03 160.44 16.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 20.2 p 50.03 47.83 22.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.246 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 164' ' ' ASN . 21.7 t -139.1 127.75 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 32.3 m -148.84 22.15 0.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 63.03 132.2 0.03 OUTLIER Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -77.99 57.95 6.33 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.494 2.13 . . . . 0.0 112.434 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -117.62 -39.32 3.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.955 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 3.2 t -143.88 125.42 14.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.957 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -132.21 167.64 19.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 23.8 mm -98.72 111.86 61.31 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.071 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -48.03 104.71 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.533 2.155 . . . . 0.0 112.51 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.72 -45.13 0.8 Allowed 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.541 2.161 . . . . 0.0 112.259 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 81.62 87.63 0.66 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.43 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -70.32 172.26 8.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.817 0.342 . . . . 0.0 110.923 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 14.5 ttm-85 -135.39 103.83 5.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.853 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.083 0 CA-C-O 118.378 -1.234 . . . . 0.0 112.542 179.956 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.626 ' HB2' HG12 ' A' ' 134' ' ' VAL . 8.7 ptp . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.739 0.304 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 55.7 p90 -164.42 123.19 1.84 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.011 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -105.79 -179.97 4.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.089 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.09 -166.84 1.5 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.968 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -100.26 158.54 31.79 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.467 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -83.44 35.58 0.57 Allowed 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.619 2.213 . . . . 0.0 112.977 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -113.53 -8.61 13.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.467 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 37.9 p-90 -54.81 157.85 2.94 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 120.913 0.387 . . . . 0.0 111.417 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -128.84 139.54 35.94 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.733 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.2 172.46 0.15 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.478 2.118 . . . . 0.0 112.323 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -169.05 -171.49 1.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.94 -30.47 70.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.466 ' OD1' HD13 ' A' ' 104' ' ' LEU . 18.9 t0 -64.71 -33.5 76.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.93 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.2 -54.71 42.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.836 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 5.2 mt -64.24 -42.36 95.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -48.9 79.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.939 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.904 HD23 ' CZ2' ' A' ' 108' ' ' TRP . 7.7 mp -68.82 -38.54 79.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.99 -39.21 88.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.55 -30.64 47.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.149 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 17.5 tp -81.46 -30.69 33.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.702 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.904 ' CZ2' HD23 ' A' ' 104' ' ' LEU . 49.6 m0 -73.05 -13.42 61.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.309 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 101.74 44.04 2.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.606 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.3 t -141.61 117.86 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.761 0.315 . . . . 0.0 111.056 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -100.99 124.23 46.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.117 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.5 mp -118.26 110.45 17.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -95.82 -35.75 11.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.841 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.51 154.13 50.89 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -69.11 135.14 31.17 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.573 2.182 . . . . 0.0 112.285 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 11.0 p -59.58 144.8 12.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.057 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 40.6 p -103.09 151.17 22.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.9 t -64.86 -31.48 72.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.56 -36.51 84.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -70.91 -50.7 32.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 19.8 mt -63.28 -47.12 83.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.79 -39.66 85.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 57.3 p -62.11 -43.75 98.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.418 ' CZ ' ' HG ' ' A' ' 144' ' ' LEU . 45.2 t80 -60.78 -48.48 81.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.937 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 59.3 mt -62.44 -32.88 56.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.03 -51.32 68.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.95 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -67.15 -32.02 72.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.693 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . 0.495 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 7.9 t-105 -67.74 -40.72 84.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.635 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -76.93 -35.29 57.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -76.5 -28.15 56.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.17 -42.65 91.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.833 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 60.88 45.2 97.0 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.447 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -142.71 -175.08 4.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.802 0.334 . . . . 0.0 110.564 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.626 HG12 ' HB2' ' A' ' 88' ' ' MET . 12.1 t -130.51 142.11 44.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.066 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.495 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 2.1 m-85 -126.63 164.04 22.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.926 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . 0.429 ' N ' ' CD2' ' A' ' 136' ' ' HIS . 4.4 m170 -92.13 174.05 7.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.749 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -64.72 -48.81 73.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.747 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.39 -35.36 75.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.025 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -73.21 -34.56 65.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -69.0 -36.17 77.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.028 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.47 ' HB3' ' CE2' ' A' ' 108' ' ' TRP . 3.6 pt20 -73.83 -42.16 61.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.23 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -75.2 -28.31 59.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.229 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -75.76 -40.21 55.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.978 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.418 ' HG ' ' CZ ' ' A' ' 124' ' ' PHE . 0.5 OUTLIER -70.18 -44.31 69.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.947 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -63.64 -56.48 15.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.109 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -60.23 -30.73 69.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 4.0 m -67.95 -43.89 78.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.937 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 95.1 mt -74.48 -35.01 63.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -67.08 -51.79 50.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.995 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 30.3 mt -80.3 -19.21 12.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.39 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -76.35 -41.64 25.2 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.513 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.25 -31.56 58.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.841 0.353 . . . . 0.0 110.932 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -63.63 -45.48 90.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.029 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 66.6 m -79.57 -31.69 41.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -77.22 -63.82 1.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 86.14 43.32 6.34 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.487 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 82.46 129.14 1.24 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.531 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 2.4 mp -119.77 88.83 40.54 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 120.753 0.311 . . . . 0.0 110.819 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -69.2 148.0 67.76 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.575 2.183 . . . . 0.0 112.325 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 14.9 ttpt -102.37 134.2 46.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 24.1 mtt85 -135.27 71.09 1.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.783 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.42 88.4 2.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 11.2 m -147.87 126.04 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 63.79 138.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 60.84 37.1 18.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 21.3 t -86.04 -36.36 10.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.081 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 60.72 158.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.771 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -92.98 145.6 30.43 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.965 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.66 158.16 51.08 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.547 2.164 . . . . 0.0 112.293 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 63.42 129.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.0 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . 0.706 ' O ' HD12 ' A' ' 173' ' ' ILE . 5.8 m -109.76 -29.56 8.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.96 71.97 2.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . 0.706 HD12 ' O ' ' A' ' 171' ' ' SER . 2.5 mp -81.85 -47.29 1.01 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.53 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' PRO . . . . . 0.466 ' HD3' ' HB ' ' A' ' 173' ' ' ILE . 85.8 Cg_endo -82.27 168.53 14.91 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.299 1.999 . . . . 0.0 112.417 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.29 -22.64 25.12 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.505 2.137 . . . . 0.0 112.344 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . -107.81 -145.82 12.14 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.572 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -84.26 -174.95 5.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.829 0.347 . . . . 0.0 110.983 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.41 147.1 1.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.42 -1.211 . . . . 0.0 112.553 -179.918 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.563 ' HB3' HG12 ' A' ' 134' ' ' VAL . 47.9 mtm . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.817 0.341 . . . . 0.0 111.177 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -148.58 108.17 3.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.66 ' HB2' HG22 ' A' ' 134' ' ' VAL . . . -88.43 104.41 16.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.181 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 6.5 ptm -82.27 -167.59 1.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 18.6 p90 -117.23 143.43 31.85 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.524 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -84.91 31.94 0.49 Allowed 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.744 2.296 . . . . 0.0 112.992 -179.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.27 19.63 16.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.343 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.442 ' CZ2' HG12 ' A' ' 125' ' ' ILE . 27.7 p-90 -77.1 142.4 39.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.804 0.335 . . . . 0.0 111.007 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -110.48 158.91 34.07 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.766 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -66.89 141.65 59.61 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.534 2.156 . . . . 0.0 112.284 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -162.81 -174.81 4.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.69 -32.2 72.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -59.22 -36.59 75.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.18 -47.91 82.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 28.6 mt -74.43 -30.42 25.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.057 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.33 -52.62 38.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.77 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.837 HD23 ' CZ2' ' A' ' 108' ' ' TRP . 6.0 mp -66.0 -38.02 87.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.94 -43.91 97.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.131 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.4 -30.7 60.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.278 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 19.3 tp -81.37 -31.62 33.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.723 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.837 ' CZ2' HD23 ' A' ' 104' ' ' LEU . 39.6 m0 -73.76 -13.41 60.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.261 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 106.1 27.77 5.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.51 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.535 HG11 HD12 ' A' ' 148' ' ' LEU . 21.2 t -119.93 111.17 31.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.835 0.35 . . . . 0.0 111.115 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -117.59 98.16 6.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.7 mt -93.79 120.64 34.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.779 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.81 -39.11 57.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.45 140.49 22.05 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.826 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.82 144.22 55.95 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.457 2.105 . . . . 0.0 112.29 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 12.7 p -72.86 135.29 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.074 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 38.7 p -80.21 150.66 30.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.3 t -63.61 -30.18 71.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -57.67 -38.38 75.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.003 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -67.88 -43.16 79.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.803 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.86 -48.09 69.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.85 -40.74 98.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.089 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.1 m -65.3 -41.2 94.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.593 ' CZ ' HD12 ' A' ' 144' ' ' LEU . 2.1 t80 -61.47 -52.38 64.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.867 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.442 HG12 ' CZ2' ' A' ' 95' ' ' TRP . 16.8 mt -67.29 -32.0 55.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.027 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.35 -47.39 86.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.066 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -76.05 -31.0 58.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . 0.509 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 7.5 t-105 -70.69 -40.73 72.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.812 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.56 -31.42 53.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.872 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.1 -37.49 64.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -73.03 -46.81 49.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.93 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 63.2 29.42 74.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.371 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.36 -159.47 0.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.69 0.281 . . . . 0.0 110.666 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.66 HG22 ' HB2' ' A' ' 90' ' ' ALA . 13.1 t -140.02 141.96 32.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.141 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.509 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 6.8 m-85 -132.83 171.1 14.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.911 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . 0.433 ' CE1' ' HA ' ' A' ' 88' ' ' MET . 4.1 m-70 -103.04 175.93 5.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.677 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . 0.765 ' CD2' HG23 ' A' ' 138' ' ' VAL . 32.9 p-80 -65.62 -51.73 57.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.766 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.765 HG23 ' CD2' ' A' ' 137' ' ' HIS . 25.7 t -64.71 -34.04 67.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.998 0.428 . . . . 0.0 110.799 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.57 -56.55 18.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.723 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 3.1 t90 -58.59 -33.16 69.67 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.731 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.449 ' HG3' ' CD2' ' A' ' 108' ' ' TRP . 11.6 tt0 -66.24 -52.16 50.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.155 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -69.77 -41.1 75.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.439 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.8 -54.37 47.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.222 -179.689 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.593 HD12 ' CZ ' ' A' ' 124' ' ' PHE . 0.2 OUTLIER -61.95 -43.12 99.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.079 -179.898 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -62.95 -41.13 99.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.286 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -75.79 -25.79 56.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.172 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.76 -41.77 67.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.039 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.535 HD12 HG11 ' A' ' 110' ' ' VAL . 70.9 mt -75.92 -39.76 55.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.13 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -69.42 -56.25 7.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 21.1 mt -74.32 -20.46 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.423 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -74.45 -42.44 33.77 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.542 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.82 -31.38 35.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.688 0.28 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -69.07 -53.65 19.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.11 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.2 m -81.36 -33.69 32.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.965 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 60.74 31.26 20.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.978 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 125.38 -76.02 0.39 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.493 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 145.07 104.86 0.46 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.548 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 6.8 mp -85.4 160.39 54.15 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 120.662 0.268 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -69.0 126.12 13.41 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.502 2.135 . . . . 0.0 112.258 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.28 -71.28 0.25 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -125.41 41.49 3.5 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -132.75 118.86 19.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 22.0 t -126.11 -68.33 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.147 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -178.33 57.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 4.1 m 60.23 100.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.493 HG13 ' N ' ' A' ' 167' ' ' SER . 8.0 p -151.17 -46.32 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . 0.493 ' N ' HG13 ' A' ' 166' ' ' VAL . 9.5 t 53.56 45.58 27.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.203 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -167.29 140.22 2.84 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.806 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -75.96 143.66 26.36 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.522 2.148 . . . . 0.0 112.396 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -87.8 79.73 8.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.788 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 80.9 p -111.2 -33.14 6.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -92.23 159.66 15.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 3.5 mt -104.32 110.25 63.9 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -67.87 152.67 76.99 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.407 2.072 . . . . 0.0 112.252 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -68.43 -47.69 1.43 Allowed 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.602 2.201 . . . . 0.0 112.321 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 85.71 -101.42 2.56 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.498 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 1.2 t80 61.06 59.56 1.99 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.823 0.344 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.59 151.6 40.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.398 -1.224 . . . . 0.0 112.476 179.944 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 29.2 mtm . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.78 0.324 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -154.72 99.53 2.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.414 ' CA ' HG13 ' A' ' 134' ' ' VAL . . . -76.6 -179.81 5.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.038 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.66 -163.72 1.31 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.735 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.444 ' N ' ' CD1' ' A' ' 92' ' ' TYR . 1.8 p90 -133.9 155.45 80.24 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.39 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -84.47 20.66 1.19 Allowed 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.765 2.31 . . . . 0.0 113.106 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.15 20.81 15.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.506 0.193 . . . . 0.0 111.471 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.41 ' O ' ' CE3' ' A' ' 95' ' ' TRP . 70.3 p-90 -74.82 118.0 17.3 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 120.828 0.347 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -95.59 155.35 38.69 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.56 157.66 6.92 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.575 2.183 . . . . 0.0 112.293 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -167.61 165.26 14.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.959 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.47 -36.01 75.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -62.59 -33.14 74.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -60.29 -55.12 37.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 34.8 mm -66.86 -35.95 76.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.058 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.45 -53.78 49.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.439 HD22 ' CE2' ' A' ' 108' ' ' TRP . 17.3 mt -61.58 -43.02 99.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.976 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.08 -46.01 89.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.51 -35.84 80.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 17.9 tp -81.47 -31.3 33.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.749 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.455 ' CD2' ' HG3' ' A' ' 141' ' ' GLN . 47.1 m0 -72.06 -13.38 61.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.241 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 107.71 47.57 0.96 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.474 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.436 HG11 ' HB3' ' A' ' 148' ' ' LEU . 21.8 t -141.63 115.74 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.87 0.367 . . . . 0.0 111.112 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -105.55 98.28 7.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.01 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.8 mt -89.64 118.81 29.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.041 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.33 -60.7 1.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -90.88 165.51 21.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.918 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -63.95 137.08 55.86 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.548 2.165 . . . . 0.0 112.203 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.436 HG11 HD23 ' A' ' 121' ' ' LEU . 19.5 t -56.96 145.95 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -88.03 152.73 21.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.821 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.0 t -63.93 -36.49 84.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -60.21 -35.44 75.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -73.42 -43.43 60.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.436 HD23 HG11 ' A' ' 116' ' ' VAL . 0.8 OUTLIER -67.1 -50.42 61.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.1 -35.67 81.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.224 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 27.5 t -61.58 -47.44 85.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.959 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.523 ' CZ ' HD12 ' A' ' 144' ' ' LEU . 1.6 t80 -62.92 -44.4 96.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.006 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 24.3 mt -70.13 -29.97 41.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.1 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.94 -50.85 67.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.076 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -70.25 -32.8 70.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . 0.46 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 3.9 t-105 -66.4 -47.03 74.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.765 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -76.43 -34.47 58.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.849 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.36 -34.62 78.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.057 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -72.53 -45.29 60.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 59.31 45.74 94.96 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.455 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -127.85 -165.44 1.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.81 0.338 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.414 HG13 ' CA ' ' A' ' 90' ' ' ALA . 11.1 t -124.55 142.03 42.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.088 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.46 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 10.0 m-85 -129.4 170.29 13.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -97.06 162.2 13.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . 0.475 ' CE1' HG23 ' A' ' 138' ' ' VAL . 9.8 p80 -59.47 -45.08 92.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.475 HG23 ' CE1' ' A' ' 137' ' ' HIS . 21.4 t -60.51 -33.84 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.182 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -67.49 -44.12 79.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -65.63 -30.72 71.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.455 ' HG3' ' CD2' ' A' ' 108' ' ' TRP . 11.7 tt0 -69.68 -49.42 53.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.096 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -74.63 -41.02 61.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.241 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 13.5 mmmt -58.92 -54.23 49.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.185 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.523 HD12 ' CZ ' ' A' ' 124' ' ' PHE . 0.1 OUTLIER -69.65 -32.92 71.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.13 -179.813 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 0.417 ' HB2' ' O ' ' A' ' 141' ' ' GLN . . . -66.66 -58.86 4.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.177 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -65.67 -26.25 67.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.049 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 45.6 t -74.55 -35.17 63.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.062 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.436 ' HB3' HG11 ' A' ' 110' ' ' VAL . 11.5 mt -78.08 -51.57 10.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.113 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . 0.409 ' HG3' HG13 ' A' ' 150' ' ' ILE . 4.4 pt20 -60.04 -45.13 93.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.0 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.409 HG13 ' HG3' ' A' ' 149' ' ' GLN . 44.7 mt -80.64 -23.64 11.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.212 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -81.6 -28.04 44.83 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.524 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 29.2 ttp85 -70.39 -36.92 74.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.872 0.368 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -77.46 -38.08 50.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.054 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 69.8 p -69.28 -33.46 73.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.924 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -128.94 103.13 6.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.903 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -135.26 -75.51 0.08 OUTLIER Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.516 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -120.25 -131.57 4.15 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.495 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.439 HD12 ' HD2' ' A' ' 159' ' ' PRO . 15.3 tp -134.18 137.54 28.38 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.63 0.253 . . . . 0.0 110.748 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . 0.439 ' HD2' HD12 ' A' ' 158' ' ' LEU . 69.0 Cg_endo -74.51 58.61 4.58 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.474 2.116 . . . . 0.0 112.417 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 175.18 87.07 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.709 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -171.93 -39.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.09 0.471 . . . . 0.0 111.02 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.52 85.93 2.26 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.828 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 25.7 t -117.84 -33.3 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.207 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -61.29 84.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.99 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 16.0 m 56.91 50.15 12.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.028 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 11.3 p -72.55 -37.06 55.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 54.3 m -81.81 160.82 23.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.874 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -166.24 87.88 0.87 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_exo -51.87 109.83 0.37 Allowed 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.637 2.225 . . . . 0.0 112.287 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 15.6 p30 -146.27 36.39 1.0 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 51.8 p -143.81 117.76 9.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -76.71 90.47 3.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.98 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 22.3 mt -113.92 88.62 14.67 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.094 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.21 139.1 54.18 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.549 2.166 . . . . 0.0 112.199 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -74.62 124.42 8.8 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.532 2.155 . . . . 0.0 112.351 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 173.12 65.33 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.535 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -154.54 108.64 2.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.771 0.32 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -146.08 140.21 26.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.416 -1.213 . . . . 0.0 112.505 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.734 ' HB3' HG12 ' A' ' 134' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.802 0.334 . . . . 0.0 111.159 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.408 ' C ' HG13 ' A' ' 134' ' ' VAL . 50.6 p90 -159.98 121.25 3.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.751 ' HB2' HG22 ' A' ' 134' ' ' VAL . . . -88.47 109.11 19.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.157 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 18.3 mtp -75.69 -174.3 2.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -110.92 162.99 18.39 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.57 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -85.01 36.65 0.57 Allowed 'Trans proline' 0 N--CA 1.462 -0.367 0 C-N-CA 122.748 2.299 . . . . 0.0 112.792 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.1 -19.32 11.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.357 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.406 ' O ' ' CE3' ' A' ' 95' ' ' TRP . 37.7 p-90 -50.55 133.4 25.21 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.85 0.357 . . . . 0.0 111.417 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -129.04 157.89 74.48 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.764 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.544 ' HD3' HD21 ' A' ' 121' ' ' LEU . 19.4 Cg_endo -58.81 136.74 75.72 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.573 2.182 . . . . 0.0 112.159 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -160.18 -168.68 2.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.43 -35.13 73.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.2 -33.66 74.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.937 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -65.35 -48.57 72.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 32.9 mm -69.85 -37.41 73.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -44.71 93.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.604 HD13 ' CZ2' ' A' ' 108' ' ' TRP . 17.2 mt -70.74 -42.96 69.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.08 -39.25 85.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.064 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.1 -37.36 85.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.061 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 20.1 tp -81.34 -32.14 33.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.682 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.604 ' CZ2' HD13 ' A' ' 104' ' ' LEU . 51.5 m0 -73.54 -13.49 61.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.22 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 90.5 34.62 7.84 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.523 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.5 t -134.33 116.26 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.744 0.306 . . . . 0.0 111.194 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -114.34 131.13 56.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.116 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.5 mt -84.68 128.43 34.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.47 -36.66 13.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.948 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -119.43 165.81 16.33 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.834 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -63.76 146.13 91.65 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.523 2.148 . . . . 0.0 112.179 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 20.7 t -69.39 147.81 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.237 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 73.1 p -106.26 150.97 25.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 34.1 p -72.09 -35.42 69.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.823 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -59.55 -42.15 91.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -64.02 -45.45 88.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.544 HD21 ' HD3' ' A' ' 97' ' ' PRO . 0.9 OUTLIER -65.94 -40.92 91.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.958 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.95 -38.97 83.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.094 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.7 m -68.41 -44.14 75.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -60.1 -48.8 80.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 49.1 mt -69.0 -32.09 53.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.062 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -66.07 -57.54 7.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.068 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -62.3 -35.3 78.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.773 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . 0.509 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 4.2 t-105 -63.99 -52.59 58.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.682 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -66.93 -37.24 83.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.29 -35.43 76.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.194 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.06 -41.53 98.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.933 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 61.94 31.52 78.77 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.378 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -110.02 -163.3 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.661 0.267 . . . . 0.0 110.818 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.751 HG22 ' HB2' ' A' ' 90' ' ' ALA . 11.4 t -141.79 142.11 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.114 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.509 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 3.7 m-85 -133.47 154.22 50.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.015 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . 0.455 ' CD2' ' HG3' ' A' ' 88' ' ' MET . 1.0 OUTLIER -78.84 -179.59 6.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.774 179.765 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . 0.521 ' NE2' HG23 ' A' ' 138' ' ' VAL . 56.3 p-80 -71.27 -44.48 65.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.639 179.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.521 HG23 ' NE2' ' A' ' 137' ' ' HIS . 21.6 t -66.16 -34.07 67.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.808 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -69.32 -40.66 77.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.703 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.454 ' CH2' HD13 ' A' ' 144' ' ' LEU . 20.8 t90 -62.71 -43.71 98.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.857 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.44 ' HB2' ' CD2' ' A' ' 108' ' ' TRP . 4.4 pt20 -70.43 -34.92 73.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.866 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -74.43 -34.2 63.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.97 -54.15 14.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.454 HD13 ' CH2' ' A' ' 140' ' ' TRP . 0.2 OUTLIER -60.2 -43.43 95.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -60.1 -59.28 5.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -60.11 -29.87 68.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 7.1 m -64.29 -51.46 63.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.838 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 79.9 mt -65.07 -31.68 73.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -64.03 -47.4 80.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.819 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 21.2 mt -76.51 -19.96 14.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.323 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -73.94 -42.94 35.91 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.514 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -70.48 -35.58 73.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.817 0.341 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -59.7 -31.26 69.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.979 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 12.8 p -97.89 -10.04 25.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.291 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 1.9 m120 65.59 -77.51 0.04 OUTLIER 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.697 0.284 . . . . 0.0 110.912 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 149.56 72.0 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.539 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -139.3 -90.43 0.2 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.465 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 2.2 tt -162.28 73.52 2.24 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 120.759 0.314 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.51 135.52 31.26 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.597 2.198 . . . . 0.0 112.26 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.79 93.32 7.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.13 29.46 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -107.39 111.68 24.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.972 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 21.4 t -113.38 -66.49 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.082 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -163.76 56.03 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 59.11 103.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 21.5 t -139.3 -48.35 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.092 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 1.4 m -162.1 159.05 25.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.786 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 60.49 89.44 0.11 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -68.88 153.19 73.19 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.521 2.147 . . . . 0.0 112.299 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -173.78 109.22 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.32 -34.33 59.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 59.66 96.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . 0.916 HG22 ' HD2' ' A' ' 175' ' ' PRO . 0.2 OUTLIER -91.09 125.45 58.56 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.649 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' PRO . . . . . 0.458 ' N ' ' CD ' ' A' ' 175' ' ' PRO . 31.6 Cg_exo -57.86 -47.27 21.53 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.336 2.024 . . . . 0.0 112.611 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . 0.916 ' HD2' HG22 ' A' ' 173' ' ' ILE . 50.2 Cg_exo -53.21 89.51 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.39 2.06 . . . . 0.0 112.306 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 156.23 132.12 1.48 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.554 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -176.99 37.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.859 0.361 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.39 131.68 36.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.835 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.367 -1.241 . . . . 0.0 112.524 179.944 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 22.8 ptm . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.812 0.339 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -153.58 104.39 2.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.697 ' HB2' HG22 ' A' ' 134' ' ' VAL . . . -75.46 124.85 27.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.079 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -120.64 -163.81 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.83 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 5.9 p90 -111.21 154.48 43.58 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.467 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -84.04 29.21 0.55 Allowed 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.746 2.297 . . . . 0.0 113.013 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -113.4 25.73 11.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.576 0.227 . . . . 0.0 111.423 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.435 ' CZ2' HG12 ' A' ' 125' ' ' ILE . 23.1 p-90 -82.3 137.63 34.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.929 0.395 . . . . 0.0 111.226 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.61 92.19 7.27 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.615 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.87 -171.86 1.26 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.602 2.201 . . . . 0.0 112.624 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -168.98 -70.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.624 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -88.14 -36.2 17.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.809 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.18 -25.99 67.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.027 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.441 ' CE1' HG21 ' A' ' 116' ' ' VAL . 9.6 t80 -64.68 -41.41 96.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.859 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 31.0 mt -76.65 -36.63 27.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.143 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.83 -40.36 69.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.807 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 23.2 mt -68.08 -45.04 74.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.768 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.16 -40.44 95.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.032 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.75 -34.25 69.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 19.5 tp -81.44 -30.68 33.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.794 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.419 ' CZ2' ' HG2' ' A' ' 141' ' ' GLN . 46.9 m0 -74.48 -13.29 60.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.302 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 102.03 35.62 3.91 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.519 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 28.7 t -128.79 126.04 64.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.835 0.35 . . . . 0.0 111.033 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -116.04 95.2 4.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.158 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.4 mt -91.05 134.61 34.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -39.4 77.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.923 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.35 164.13 45.07 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.21 160.73 3.07 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.552 2.168 . . . . 0.0 112.244 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.441 HG21 ' CE1' ' A' ' 101' ' ' PHE . 21.9 t -82.63 147.63 5.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 24.2 p -76.57 151.53 36.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.2 t -68.62 -27.91 66.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -57.17 -47.14 81.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.961 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -63.56 -37.82 88.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.819 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 2.7 mt -67.35 -50.3 60.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.1 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.602 ' HB1' ' HG2' ' A' ' 174' ' ' PRO . . . -59.88 -32.57 70.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.163 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.3 p -70.49 -41.3 72.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.763 ' CZ ' HD12 ' A' ' 144' ' ' LEU . 6.4 t80 -63.54 -38.82 92.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.435 HG12 ' CZ2' ' A' ' 95' ' ' TRP . 23.5 mt -70.27 -38.43 74.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.051 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.91 -45.11 95.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.09 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -77.05 -35.0 57.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . 0.493 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 5.6 t-105 -61.29 -47.1 87.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.724 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -73.27 -38.11 66.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.02 -30.88 70.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.135 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -63.23 -49.71 73.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 68.4 43.51 78.06 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.528 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -133.92 -165.93 1.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.889 0.376 . . . . 0.0 110.766 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.697 HG22 ' HB2' ' A' ' 90' ' ' ALA . 20.5 t -127.44 150.41 33.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.177 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.493 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 20.8 m-85 -130.08 153.74 48.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.967 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -87.42 170.02 11.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -60.14 -64.11 1.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 26.7 t -54.53 -35.98 33.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.189 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -63.62 -35.57 80.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.72 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -70.16 -40.01 74.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.926 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.419 ' HG2' ' CZ2' ' A' ' 108' ' ' TRP . 31.0 mt-30 -69.36 -36.94 77.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.098 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -74.9 -50.19 17.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.404 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -54.37 47.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.317 -179.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.763 HD12 ' CZ ' ' A' ' 124' ' ' PHE . 0.1 OUTLIER -62.52 -48.88 77.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.076 -179.716 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -57.41 -58.55 7.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.205 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 2.2 mmt85 -61.21 -29.51 69.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 31.4 t -66.56 -46.88 74.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 41.2 mt -68.78 -28.02 66.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -72.46 -57.69 3.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.951 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -61.79 -27.92 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.046 0.451 . . . . 0.0 111.199 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -74.91 -39.49 38.49 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.421 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.22 -42.53 72.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.786 0.326 . . . . 0.0 110.809 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -59.48 -38.61 81.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.053 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 43.0 p -78.95 -30.05 44.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.939 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 61.82 98.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 109.45 -102.82 1.67 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.565 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -124.82 -83.62 0.56 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 60.17 91.94 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 120.596 0.236 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -67.93 108.19 1.66 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.572 2.181 . . . . 0.0 112.359 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.93 -35.11 5.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -91.2 51.29 1.9 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -137.92 148.08 44.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.949 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 21.4 t -108.31 -42.86 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . 0.526 ' O ' HG23 ' A' ' 166' ' ' VAL . 8.7 t30 -137.94 154.95 49.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.938 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.49 79.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 164' ' ' ASN . 21.5 t -82.55 -62.9 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 3.4 m 60.42 85.66 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -145.31 77.9 12.52 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.777 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.58 120.18 6.56 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.563 2.175 . . . . 0.0 112.389 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -78.05 90.46 4.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 6.5 p 63.3 135.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.041 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.14 36.2 1.76 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . 0.461 HG22 ' H ' ' A' ' 176' ' ' GLY . 24.1 mt -138.48 79.94 28.44 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.033 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 174' ' ' PRO . . . . . 0.602 ' HG2' ' HB1' ' A' ' 122' ' ' ALA . 36.7 Cg_exo -57.05 -47.2 24.04 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.775 2.317 . . . . 0.0 113.175 -179.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 174' ' ' PRO . 58.6 Cg_endo -74.3 -50.85 0.15 Allowed 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.093 1.862 . . . . 0.0 112.686 -179.502 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . 0.461 ' H ' HG22 ' A' ' 173' ' ' ILE . . . 141.89 -50.43 0.72 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.623 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 67.48 -72.2 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.811 0.339 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -75.83 75.19 2.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.854 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.426 -1.208 . . . . 0.0 112.508 -179.933 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.488 ' HB3' HG12 ' A' ' 134' ' ' VAL . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.798 0.332 . . . . 0.0 111.183 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -144.06 111.19 5.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.989 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.492 ' N ' HG13 ' A' ' 134' ' ' VAL . . . -85.48 -179.88 7.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.028 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 1.7 tmm? -167.14 177.56 6.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -104.52 150.67 38.77 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.624 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -84.2 35.24 0.54 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.691 2.261 . . . . 0.0 112.912 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.38 13.29 18.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.425 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.446 ' CZ2' HG12 ' A' ' 125' ' ' ILE . 26.5 p-90 -78.54 155.98 29.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.895 0.378 . . . . 0.0 111.239 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -131.82 162.19 57.92 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.61 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.39 136.9 70.94 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.421 2.081 . . . . 0.0 112.213 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -136.29 -175.77 4.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.907 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -75.11 -36.68 61.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.055 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.403 ' O ' HD13 ' A' ' 104' ' ' LEU . 0.4 OUTLIER -69.03 -29.25 67.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -64.53 -57.48 9.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.848 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.0 mt -61.8 -37.62 78.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.984 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -47.11 85.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.923 HD23 ' CZ2' ' A' ' 108' ' ' TRP . 7.3 mp -67.54 -42.32 82.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.05 -33.92 74.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -73.19 -39.06 65.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.132 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 17.2 tp -81.39 -29.96 33.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.805 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.923 ' CZ2' HD23 ' A' ' 104' ' ' LEU . 43.8 m0 -68.16 -13.33 62.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.314 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 97.16 42.9 3.14 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.59 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 17.2 t -116.3 110.71 32.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 0.0 111.084 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -111.03 124.38 52.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.1 mp -121.89 142.43 50.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.71 -31.26 36.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.862 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.32 157.87 75.75 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.23 -179.2 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.544 2.163 . . . . 0.0 112.299 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.817 HG23 ' OE1' ' A' ' 120' ' ' GLU . 9.6 p -94.82 145.99 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.043 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.63 165.94 11.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 15.2 p -60.28 -35.97 76.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -61.67 -31.48 71.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.817 ' OE1' HG23 ' A' ' 116' ' ' VAL . 6.6 tt0 -69.77 -48.98 57.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.811 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.488 ' O ' HD12 ' A' ' 125' ' ' ILE . 1.5 mp -68.99 -41.73 77.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.786 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.0 -39.51 92.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.049 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.3 m -65.31 -49.91 67.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.81 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -60.23 -46.08 91.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.488 HD12 ' O ' ' A' ' 121' ' ' LEU . 10.4 mt -69.51 -32.77 54.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.016 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.53 -54.12 50.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.03 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -67.77 -33.8 75.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . 0.506 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 10.6 t-105 -67.67 -39.9 84.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.777 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -75.95 -35.33 59.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.954 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -76.11 -31.43 58.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -66.19 -45.48 80.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 59.51 34.44 81.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.424 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -111.06 -163.85 0.88 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.669 0.271 . . . . 0.0 110.824 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.492 HG13 ' N ' ' A' ' 90' ' ' ALA . 3.9 t -133.82 141.94 42.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.047 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.506 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 9.8 m-85 -129.68 162.58 28.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.966 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . 0.419 ' CE1' ' HA ' ' A' ' 88' ' ' MET . 8.9 m-70 -97.84 179.04 4.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.681 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . 0.685 ' CE1' HG23 ' A' ' 138' ' ' VAL . 6.9 p80 -68.34 -47.46 67.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.743 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.685 HG23 ' CE1' ' A' ' 137' ' ' HIS . 39.6 t -69.28 -36.97 74.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.946 0.403 . . . . 0.0 110.771 179.505 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -69.12 -36.89 77.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.961 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 15.8 t90 -66.68 -45.02 80.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.458 ' HB3' ' CZ2' ' A' ' 108' ' ' TRP . 3.8 pt20 -70.52 -30.04 66.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.043 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -78.41 -48.19 15.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.229 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -41.03 96.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.118 -179.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.9 tt -69.83 -48.12 60.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -60.74 -56.89 15.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.196 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -60.74 -30.0 69.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.05 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.3 m -66.77 -52.71 41.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.061 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 29.8 mt -64.76 -29.1 70.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.996 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -67.93 -50.59 55.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.03 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 27.0 pt -69.95 -32.37 51.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.095 0.474 . . . . 0.0 111.236 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -64.39 -53.79 33.67 Favored Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.451 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.7 -35.25 78.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.803 0.335 . . . . 0.0 110.836 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -71.3 -35.34 71.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 53.8 p -78.37 -31.27 48.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 1.7 t30 60.81 97.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -113.03 -27.33 3.75 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.528 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -74.95 -85.05 0.31 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.521 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 8.7 mp -61.39 137.2 94.53 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 120.595 0.236 . . . . 0.0 110.86 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.13 -172.24 1.3 Allowed 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.487 2.125 . . . . 0.0 112.365 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.66 -32.69 6.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.71 179.61 7.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.68 138.88 46.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . 0.409 HG23 ' N ' ' A' ' 164' ' ' ASN . 5.8 m -133.62 -46.47 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.096 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . 0.409 ' N ' HG23 ' A' ' 163' ' ' VAL . 1.8 t30 -110.3 163.42 13.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 1.1 m -76.18 105.13 7.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 21.4 t -69.56 -59.0 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.168 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 3.1 m 60.65 98.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.994 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 59.88 161.68 0.1 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.1 -172.08 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.661 2.241 . . . . 0.0 112.243 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -144.83 114.12 7.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 14.0 t -139.04 -46.2 0.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 172' ' ' GLN . . . . . 0.425 ' O ' HD13 ' A' ' 173' ' ' ILE . 1.6 mm-40 -72.83 119.21 16.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . 0.425 HD13 ' O ' ' A' ' 172' ' ' GLN . 28.8 mm -124.27 95.92 42.69 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.079 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -45.62 101.11 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.742 2.295 . . . . 0.0 112.532 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -64.65 115.86 3.46 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.659 2.239 . . . . 0.0 112.159 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 128.03 -162.68 21.8 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.465 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.99 168.65 7.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.844 0.354 . . . . 0.0 110.864 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 14.6 mtp180 -119.36 107.97 14.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.518 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.551 ' HB3' HG12 ' A' ' 134' ' ' VAL . 2.5 mmt . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.787 0.327 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -150.92 106.31 3.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.99 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.494 ' N ' HG13 ' A' ' 134' ' ' VAL . . . -83.67 110.48 18.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.042 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.44 -165.04 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -123.11 158.52 57.59 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.269 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -84.68 23.27 0.85 Allowed 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.641 2.227 . . . . 0.0 113.113 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.21 11.86 18.85 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.62 0.23 . . . . 0.0 111.62 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 67.7 p-90 -71.42 131.46 43.39 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 120.896 0.379 . . . . 0.0 111.064 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -110.41 151.02 42.42 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.97 160.74 48.42 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.542 2.161 . . . . 0.0 112.299 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -176.51 -169.81 0.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.913 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.1 -31.89 70.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -59.67 -31.11 69.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.94 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -64.06 -41.2 97.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 17.1 mt -73.68 -34.67 41.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.014 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.77 -41.85 82.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.598 HD13 ' CZ2' ' A' ' 108' ' ' TRP . 16.2 mt -72.3 -43.8 63.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.93 90.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -73.73 -31.25 63.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.148 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 20.2 tp -81.51 -30.64 33.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.793 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.598 ' CZ2' HD13 ' A' ' 104' ' ' LEU . 46.2 m0 -74.22 -13.29 60.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.336 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 108.61 37.53 2.05 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.416 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.701 HG12 HD12 ' A' ' 112' ' ' LEU . 21.3 t -139.98 111.08 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.785 0.326 . . . . 0.0 111.106 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -112.59 110.2 20.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.701 HD12 HG12 ' A' ' 110' ' ' VAL . 1.7 mp -113.59 159.94 19.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.823 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.45 -45.22 9.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -108.02 155.32 40.25 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.69 179.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.565 2.177 . . . . 0.0 112.377 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.538 HG11 HD21 ' A' ' 121' ' ' LEU . 12.5 p -77.83 152.17 5.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.176 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.413 ' O ' HD23 ' A' ' 121' ' ' LEU . 59.3 p -83.82 149.43 26.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.857 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.2 t -68.86 -30.81 69.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -59.19 -48.16 82.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.78 -30.59 69.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.538 HD21 HG11 ' A' ' 116' ' ' VAL . 1.8 mm? -62.4 -57.93 9.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.799 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.83 -39.91 95.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.4 t -59.74 -44.6 93.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.505 ' CZ ' HD12 ' A' ' 144' ' ' LEU . 0.9 OUTLIER -61.45 -48.41 81.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.999 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 53.9 mt -65.75 -32.26 57.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.0 -44.38 96.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.125 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -75.46 -32.15 60.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . 0.487 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 12.8 t-105 -69.44 -40.57 77.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -75.0 -36.64 61.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -76.84 -31.51 56.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.012 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -63.73 -45.46 89.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 59.45 35.32 84.81 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.516 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.46 -164.57 1.04 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.81 0.338 . . . . 0.0 110.785 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.551 HG12 ' HB3' ' A' ' 88' ' ' MET . 4.1 t -132.81 141.96 43.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.974 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.487 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 8.0 m-85 -130.27 149.84 51.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -82.99 -179.13 7.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.723 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . 0.509 ' NE2' HG23 ' A' ' 138' ' ' VAL . 57.3 p-80 -70.52 -40.94 73.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.728 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.509 HG23 ' NE2' ' A' ' 137' ' ' HIS . 21.4 t -70.3 -35.04 60.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.041 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -70.56 -36.43 73.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -67.8 -46.4 72.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.78 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.442 ' HB2' ' CG ' ' A' ' 108' ' ' TRP . 3.9 pt20 -65.51 -41.59 93.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -66.7 -42.22 86.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.53 -49.99 73.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.505 HD12 ' CZ ' ' A' ' 124' ' ' PHE . 0.1 OUTLIER -66.18 -35.93 81.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 0.423 ' HA ' HG21 ' A' ' 110' ' ' VAL . . . -69.12 -48.73 61.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.189 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.1 -30.38 71.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.001 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 20.5 m -72.58 -44.43 62.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.046 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.442 HD12 ' O ' ' A' ' 144' ' ' LEU . 5.4 mt -74.76 -38.06 62.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.96 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.83 -54.83 7.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.961 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 26.7 mt -73.11 -19.58 18.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.346 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -77.86 -46.08 9.91 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.486 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.3 -30.08 34.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.795 0.331 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.41 -42.59 87.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.223 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.3 p -104.4 -31.34 9.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 61.22 156.65 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -148.19 -67.99 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.504 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 104.48 117.63 4.37 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.475 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.423 ' N ' ' CD ' ' A' ' 159' ' ' PRO . 0.2 OUTLIER -84.57 -51.68 0.55 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.661 0.267 . . . . 0.0 111.013 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . 0.423 ' CD ' ' N ' ' A' ' 158' ' ' LEU . 31.3 Cg_exo -59.15 88.6 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.507 2.138 . . . . 0.0 112.228 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -119.39 123.42 44.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -122.37 114.22 20.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -110.94 136.16 50.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 163' ' ' VAL . 6.1 m -144.6 110.53 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -176.76 61.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 59.47 38.56 22.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 21.4 t -97.63 -30.22 3.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.247 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 23.0 t -169.08 -163.8 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.801 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' GLU . . . . . 0.462 ' CB ' ' CD ' ' A' ' 169' ' ' PRO . 0.3 OUTLIER -162.36 -65.11 0.02 OUTLIER Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.907 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' PRO . . . . . 0.462 ' CD ' ' CB ' ' A' ' 168' ' ' GLU . 46.6 Cg_endo -68.27 153.64 73.96 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.458 2.105 . . . . 0.0 112.205 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -102.7 130.6 49.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.37 -179.83 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.929 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.29 66.33 0.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 3.5 pt -65.8 141.44 97.7 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.199 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -73.65 111.69 3.35 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.512 2.142 . . . . 0.0 112.392 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -57.85 -161.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.357 2.038 . . . . 0.0 112.223 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . -132.32 -70.69 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.51 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 59.95 160.48 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.79 0.328 . . . . 0.0 110.931 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 2.2 mmt-85 -127.89 -45.51 1.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.815 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.393 -1.226 . . . . 0.0 112.46 179.984 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.689 ' HB3' HG12 ' A' ' 134' ' ' VAL . 2.2 mtt . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.763 0.316 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -132.89 107.0 8.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.007 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.546 ' N ' HG13 ' A' ' 134' ' ' VAL . . . -87.41 110.56 20.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.193 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 22.7 ptp -101.65 -168.12 1.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.769 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.421 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 10.4 p90 -116.53 150.59 45.81 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.664 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 92' ' ' TYR . 3.5 Cg_endo -85.36 35.93 0.53 Allowed 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 122.877 2.384 . . . . 0.0 112.646 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -113.17 20.32 16.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.194 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.451 ' CZ2' HG12 ' A' ' 125' ' ' ILE . 26.0 p-90 -84.72 148.75 26.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.815 0.341 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -116.39 142.4 29.4 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.55 152.89 15.2 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.464 2.11 . . . . 0.0 112.246 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -164.6 -174.45 3.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.77 -37.24 81.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.166 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.57 -32.89 70.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.957 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -60.22 -53.62 55.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 10.8 mt -70.93 -34.83 57.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.054 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.39 -48.84 73.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.8 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.602 HD22 ' CE2' ' A' ' 108' ' ' TRP . 12.4 mt -66.45 -43.01 86.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.34 -44.6 95.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.04 -36.52 83.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.039 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 20.1 tp -81.46 -31.64 32.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.733 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.602 ' CE2' HD22 ' A' ' 104' ' ' LEU . 47.2 m0 -69.67 -13.5 62.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.278 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 109.25 28.55 4.33 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.433 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.4 t -129.3 110.69 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.731 0.3 . . . . 0.0 111.114 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -114.57 106.71 14.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.3 mt -115.18 114.76 25.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.944 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.23 -44.17 89.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.84 144.94 56.53 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.6 -177.68 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.516 2.144 . . . . 0.0 112.258 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 12.6 p -90.76 134.33 29.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 7.3 p -78.39 148.35 33.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.3 t -72.21 -34.14 68.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -66.42 -36.97 84.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -69.13 -44.21 72.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 6.4 mt -64.44 -51.04 65.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.947 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.52 -35.85 76.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 23.3 t -65.9 -41.14 91.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.43 ' CZ ' ' HG ' ' A' ' 144' ' ' LEU . 6.7 t80 -65.13 -53.29 47.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.451 HG12 ' CZ2' ' A' ' 95' ' ' TRP . 6.1 mt -60.39 -37.37 74.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.055 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.29 -55.73 31.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.086 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -65.23 -29.78 70.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . 0.501 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 8.4 t-105 -72.53 -41.18 66.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -74.81 -34.91 62.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.924 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -78.35 -30.92 48.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -67.7 -45.95 73.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.977 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 61.86 33.45 85.44 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.37 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.68 -161.9 0.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.763 0.316 . . . . 0.0 110.757 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.689 HG12 ' HB3' ' A' ' 88' ' ' MET . 3.7 t -142.09 141.96 28.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.945 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.501 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 5.2 m-85 -135.03 159.3 41.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.92 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . 0.429 ' CE1' ' HA ' ' A' ' 88' ' ' MET . 3.9 m-70 -95.44 174.83 6.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.739 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . 0.742 ' CE1' HG23 ' A' ' 138' ' ' VAL . 7.8 p80 -61.17 -47.7 84.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.628 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.742 HG23 ' CE1' ' A' ' 137' ' ' HIS . 31.7 t -71.83 -33.82 49.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.617 179.387 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.74 -33.58 72.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.65 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -71.13 -49.66 41.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.448 ' HB2' ' CD2' ' A' ' 108' ' ' TRP . 6.5 pt20 -66.67 -36.13 81.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.915 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . 0.456 ' OE1' HG12 ' A' ' 138' ' ' VAL . 82.9 mt-30 -75.77 -47.56 25.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.027 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 23.0 tttt -60.85 -49.79 76.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.961 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.43 ' HG ' ' CZ ' ' A' ' 124' ' ' PHE . 1.7 tt -61.53 -52.43 64.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -59.11 -49.61 77.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.107 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -65.9 -29.31 69.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.015 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 11.4 m -72.19 -41.92 66.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 79.0 mt -72.55 -34.54 67.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -74.27 -53.48 9.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 38.0 mt -73.98 -18.81 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.388 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -80.55 -44.68 8.4 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.506 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.94 -40.87 75.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.778 0.323 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -65.92 -31.03 71.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.8 m -91.45 -31.28 16.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.967 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -92.02 137.26 32.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -153.97 43.03 0.61 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.489 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 119.13 -84.78 0.38 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.474 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.467 HD12 ' O ' ' A' ' 158' ' ' LEU . 0.6 OUTLIER -132.26 66.08 76.43 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.311 . . . . 0.0 110.861 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.5 154.32 55.31 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.61 2.207 . . . . 0.0 112.331 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -143.91 76.0 1.49 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.826 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 2.9 ptp180 -78.25 166.82 22.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' ASP . . . . . 0.525 ' HB2' HG11 ' A' ' 166' ' ' VAL . 14.7 p-10 -118.86 102.12 8.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 16.6 m -147.69 31.03 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -146.47 120.91 9.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' THR . . . . . 0.546 ' O ' HG22 ' A' ' 165' ' ' THR . 24.1 m 60.5 30.52 19.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.525 HG11 ' HB2' ' A' ' 162' ' ' ASP . 3.1 m -101.23 84.36 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.104 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 2.0 m -149.85 62.43 0.99 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -136.33 87.13 22.95 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.78 123.52 9.84 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.568 2.179 . . . . 0.0 112.365 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 59.66 164.15 0.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.974 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 22.8 t -101.35 124.39 46.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -74.0 65.61 1.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 5.4 pt -66.77 120.24 69.77 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.162 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.63 153.92 22.15 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.4 2.067 . . . . 0.0 112.27 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -52.78 168.57 0.46 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.511 2.14 . . . . 0.0 112.262 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . -153.23 65.21 0.34 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.476 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -145.41 30.93 1.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.876 0.369 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.12 144.1 12.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.547 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.781 0.324 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -147.13 114.05 6.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.939 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.465 ' N ' HG13 ' A' ' 134' ' ' VAL . . . -69.58 -179.93 1.89 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.019 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 11.3 mtm -151.17 -174.52 4.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.788 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 14.2 p90 -109.18 146.31 33.62 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.551 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -83.3 33.01 0.51 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.674 2.249 . . . . 0.0 112.934 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.4 -16.9 12.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.274 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 42.1 p-90 -49.24 146.64 3.57 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.868 0.365 . . . . 0.0 111.458 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.79 165.33 37.37 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.766 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.528 ' HD3' HD21 ' A' ' 121' ' ' LEU . 37.4 Cg_endo -66.05 148.64 85.76 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.485 2.123 . . . . 0.0 112.258 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.38 -168.88 2.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.92 -46.69 80.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.056 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -59.3 -31.26 68.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -61.27 -48.93 79.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 29.8 mm -72.53 -31.21 36.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.51 -52.35 40.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.457 HD22 ' CZ2' ' A' ' 108' ' ' TRP . 21.1 mt -61.76 -45.04 95.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.53 -46.81 87.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.163 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.27 -34.52 77.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 17.5 tp -81.42 -31.89 32.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.723 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.457 ' CZ2' HD22 ' A' ' 104' ' ' LEU . 45.5 m0 -70.53 -13.34 62.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.322 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 107.98 32.17 3.38 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.516 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.5 t -119.83 110.74 30.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 111.122 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -101.76 107.65 18.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.059 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.416 HD23 ' HD3' ' A' ' 152' ' ' ARG . 0.5 OUTLIER -117.5 121.61 41.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 11.1 mtt85 -85.75 -58.72 2.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -74.78 150.74 86.48 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.04 179.24 0.04 OUTLIER 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.605 2.204 . . . . 0.0 112.306 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 10.8 p -89.95 153.05 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.084 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 18.3 p -106.7 149.75 26.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.9 t -71.47 -32.01 67.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.94 -38.94 93.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -63.91 -46.69 83.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.528 HD21 ' HD3' ' A' ' 97' ' ' PRO . 1.7 mp -63.79 -49.4 73.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -58.75 -30.04 67.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.16 -45.32 60.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.962 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.718 ' CZ ' HD12 ' A' ' 144' ' ' LEU . 7.9 t80 -66.95 -47.34 71.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.983 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 54.6 mt -65.53 -32.62 59.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.975 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.09 -50.05 67.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.018 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.44 ' CD2' ' HG3' ' A' ' 131' ' ' GLU . 34.9 t80 -72.83 -31.23 64.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.828 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . 0.501 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 4.6 t-105 -62.47 -47.73 82.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.714 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -73.97 -43.18 59.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.53 -30.66 71.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.44 ' HG3' ' CD2' ' A' ' 127' ' ' TYR . 0.2 OUTLIER -63.18 -44.27 95.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 65.25 32.61 84.34 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.462 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -120.68 -166.02 1.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.84 0.352 . . . . 0.0 110.776 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.465 HG13 ' N ' ' A' ' 90' ' ' ALA . 12.6 t -139.04 145.36 27.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.106 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.501 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 4.5 m-85 -130.55 149.39 52.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -77.43 177.94 7.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.813 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -61.77 -60.43 3.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.973 0.416 . . . . 0.0 110.823 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 31.9 t -57.39 -34.47 46.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.931 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -64.56 -32.16 73.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.73 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -74.08 -40.81 62.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.79 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.407 ' HG2' ' CZ2' ' A' ' 108' ' ' TRP . 28.1 mt-30 -62.1 -46.41 89.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.95 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.81 -36.09 64.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.02 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -62.72 -53.88 47.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.98 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.718 HD12 ' CZ ' ' A' ' 124' ' ' PHE . 0.1 OUTLIER -67.04 -46.52 74.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.997 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -59.45 -57.97 10.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.193 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 16.5 ttt180 -58.46 -31.5 67.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -64.87 -52.66 55.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.92 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 15.6 mt -69.1 -28.07 66.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.95 -57.82 11.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 31.9 pt -72.58 -32.82 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.068 0.461 . . . . 0.0 111.255 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -64.74 -46.16 90.58 Favored Glycine 0 N--CA 1.451 -0.34 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.549 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . 0.416 ' HD3' HD23 ' A' ' 112' ' ' LEU . 11.3 ttp-105 -67.72 -28.16 67.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.791 0.329 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -79.97 -53.25 6.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.197 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.14 -41.79 99.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.949 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -135.85 127.56 29.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -162.16 40.0 0.38 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.559 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -139.87 -77.47 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.612 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.468 ' N ' ' HD2' ' A' ' 159' ' ' PRO . 0.2 OUTLIER 179.68 -60.43 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 120.579 0.228 . . . . 0.0 111.122 -179.91 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . 0.468 ' HD2' ' N ' ' A' ' 158' ' ' LEU . 18.3 Cg_endo -59.91 177.23 0.53 Allowed 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.419 2.079 . . . . 0.0 112.215 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.58 124.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 25.2 ttt-85 62.82 41.86 8.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.813 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -126.65 119.51 27.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . 0.755 HG11 ' CG1' ' A' ' 166' ' ' VAL . 13.1 p -78.8 152.67 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -77.75 67.11 3.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.787 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 63.81 129.72 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.755 ' CG1' HG11 ' A' ' 163' ' ' VAL . 10.1 p -177.58 -38.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.237 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 2.6 m -98.79 40.43 1.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.026 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' GLU . . . . . 0.41 ' CB ' ' HD3' ' A' ' 169' ' ' PRO . 1.1 tt0 -87.81 -52.54 0.39 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' PRO . . . . . 0.41 ' HD3' ' CB ' ' A' ' 168' ' ' GLU . 46.8 Cg_exo -55.97 112.58 1.11 Allowed 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.486 2.124 . . . . 0.0 112.262 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -108.73 131.81 54.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.67 177.24 5.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.972 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -144.49 100.72 3.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 1.3 pt -66.64 160.7 66.04 Favored Pre-proline 0 N--CA 1.452 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.241 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_exo -56.28 170.39 1.2 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.607 2.205 . . . . 0.0 112.103 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -62.94 178.56 1.0 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.501 2.134 . . . . 0.0 112.247 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . -57.86 136.16 51.08 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.646 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -161.23 142.1 11.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.885 0.374 . . . . 0.0 110.813 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 61.31 -174.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.801 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.388 -1.229 . . . . 0.0 112.511 -179.992 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.726 ' HB3' HG12 ' A' ' 134' ' ' VAL . 3.5 mpp? . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.823 0.344 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -137.04 108.61 6.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.498 ' N ' HG13 ' A' ' 134' ' ' VAL . . . -75.06 109.17 8.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.211 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 24.7 ptm -99.44 -168.63 1.64 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.808 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.43 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 14.0 p90 -118.16 144.16 34.35 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.617 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 92' ' ' TYR . 1.7 Cg_endo -82.51 35.03 0.56 Allowed 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.886 2.391 . . . . 0.0 112.752 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.11 19.74 16.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.644 0.259 . . . . 0.0 111.14 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.433 ' CZ2' HG12 ' A' ' 125' ' ' ILE . 17.1 p-90 -78.89 146.97 33.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.038 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -107.65 148.53 37.47 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.05 148.64 57.16 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.562 2.174 . . . . 0.0 112.274 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -159.16 -175.93 5.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.82 -30.4 68.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.099 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -59.63 -30.82 68.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.63 -58.73 7.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 6.8 mt -66.41 -33.31 62.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.036 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -54.4 42.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.757 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.761 HD13 ' CZ2' ' A' ' 108' ' ' TRP . 14.6 mt -64.39 -43.09 95.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.843 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.36 -35.69 74.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.011 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.69 93.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 18.6 tp -81.45 -29.25 33.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.721 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.761 ' CZ2' HD13 ' A' ' 104' ' ' LEU . 40.7 m0 -68.22 -13.52 62.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.259 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 108.91 40.87 1.5 Allowed Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.508 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.4 t -150.71 110.66 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.857 0.36 . . . . 0.0 111.08 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -97.25 111.13 23.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.3 mt -112.06 108.57 17.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -87.69 -38.5 15.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -97.2 158.45 33.25 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.979 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.68 151.54 19.03 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.515 2.143 . . . . 0.0 112.289 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 10.9 p -79.83 140.89 16.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.31 147.63 53.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 60.8 m -72.41 -39.96 67.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.043 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -57.12 -34.98 68.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.416 ' OE2' HD13 ' A' ' 148' ' ' LEU . 0.0 OUTLIER -66.76 -51.98 49.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 6.7 mp -60.52 -50.19 74.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.39 -38.38 80.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.08 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.1 m -69.66 -31.42 69.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.425 ' CZ ' HD12 ' A' ' 144' ' ' LEU . 0.3 OUTLIER -66.26 -58.29 5.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.433 HG12 ' CZ2' ' A' ' 95' ' ' TRP . 10.5 mt -64.35 -29.9 48.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.056 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.28 -48.71 72.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -72.6 -31.46 65.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 6.4 t-105 -67.83 -48.81 65.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.769 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.95 -31.5 64.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -78.15 -30.64 49.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -72.17 -44.91 62.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 60.82 36.57 92.16 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.45 -163.69 0.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.75 0.31 . . . . 0.0 110.726 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.726 HG12 ' HB3' ' A' ' 88' ' ' MET . 3.4 t -133.72 142.04 42.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -135.02 151.0 50.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.035 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . 0.426 ' CG ' ' HA ' ' A' ' 88' ' ' MET . 0.3 OUTLIER -87.29 -171.75 3.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.74 179.759 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -71.3 -51.06 26.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.781 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 27.7 t -62.76 -38.13 80.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.132 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -65.77 -31.96 73.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.721 ' CZ3' HD13 ' A' ' 144' ' ' LEU . 0.8 OUTLIER -72.63 -39.55 67.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.997 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.448 ' HG2' ' CE2' ' A' ' 108' ' ' TRP . 34.2 mt-30 -63.14 -49.68 73.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.07 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -66.97 -34.44 77.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.25 -54.22 40.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.982 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.721 HD13 ' CZ3' ' A' ' 140' ' ' TRP . 0.1 OUTLIER -62.37 -34.72 77.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.1 -179.906 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -71.67 -59.96 2.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.245 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.475 HH21 HG23 ' A' ' 150' ' ' ILE . 0.7 OUTLIER -58.97 -29.89 67.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.036 -179.901 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 32.7 t -69.97 -48.46 58.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.008 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.555 HD23 ' O ' ' A' ' 144' ' ' LEU . 4.1 mm? -67.02 -29.61 69.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.985 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -71.84 -57.85 3.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.958 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.475 HG23 HH21 ' A' ' 146' ' ' ARG . 1.7 pp -60.8 -28.36 43.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.355 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -72.07 -51.75 13.33 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.532 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -59.87 -31.14 69.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.899 0.38 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -77.3 -47.35 20.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.69 -37.86 87.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.82 129.69 43.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.919 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 90.36 44.21 4.72 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.484 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 136.06 99.21 0.56 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.566 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.414 ' CB ' ' CD ' ' A' ' 159' ' ' PRO . 0.8 OUTLIER -69.49 -61.21 3.34 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.607 0.242 . . . . 0.0 110.973 -179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . 0.414 ' CD ' ' CB ' ' A' ' 158' ' ' LEU . 49.8 Cg_endo -68.86 155.04 69.9 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.484 2.123 . . . . 0.0 112.29 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 18.5 mtmm 60.55 158.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -112.21 129.87 56.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -107.77 113.64 27.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.823 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . 0.403 HG23 ' N ' ' A' ' 164' ' ' ASN . 15.5 m -114.27 -43.63 4.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.131 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . 0.403 ' N ' HG23 ' A' ' 163' ' ' VAL . 2.0 m-80 53.04 73.7 0.34 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 8.6 p 55.64 102.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.992 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 21.8 t -141.65 -61.12 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.219 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.82 -179.32 3.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -100.0 107.48 47.08 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -68.67 82.61 0.54 Allowed 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.338 2.025 . . . . 0.0 112.29 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -142.79 104.23 4.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.05 -176.8 5.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -96.81 174.46 6.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 3.8 mp -96.56 101.51 9.2 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -68.4 127.65 16.04 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.395 2.063 . . . . 0.0 112.2 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -73.24 61.55 4.12 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.474 2.116 . . . . 0.0 112.272 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 111.28 -132.23 10.78 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.537 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -139.59 171.16 14.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.819 0.342 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -172.26 157.1 4.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.843 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.356 -1.246 . . . . 0.0 112.526 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.692 ' HB3' HG12 ' A' ' 134' ' ' VAL . 1.9 mtp . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.835 0.35 . . . . 0.0 111.133 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.405 ' H ' HG12 ' A' ' 134' ' ' VAL . 1.5 m-85 -157.46 112.84 2.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.542 ' N ' HG13 ' A' ' 134' ' ' VAL . . . -94.55 -179.91 5.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.946 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -167.84 -161.94 0.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.41 ' HB2' ' HD2' ' A' ' 93' ' ' PRO . 0.2 OUTLIER -132.58 163.02 53.67 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.23 179.885 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.41 ' HD2' ' HB2' ' A' ' 92' ' ' TYR . 91.0 Cg_endo -81.65 21.95 0.88 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.559 2.173 . . . . 0.0 113.118 -179.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -113.21 19.49 17.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.562 0.22 . . . . 0.0 111.326 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 68.9 p-90 -74.53 143.07 44.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.842 0.353 . . . . 0.0 110.999 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -104.96 142.19 24.12 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.67 158.87 52.46 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.588 2.192 . . . . 0.0 112.256 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -162.73 -178.79 6.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.36 -27.68 62.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.247 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.14 -30.18 61.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.983 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -61.97 -58.49 7.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.5 mt -67.33 -36.76 77.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.199 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.73 -45.98 92.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.832 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.798 HD23 ' CZ2' ' A' ' 108' ' ' TRP . 6.2 mp -73.45 -42.84 61.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.4 -38.95 91.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.17 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -67.41 -36.26 80.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 16.1 tp -81.53 -31.28 32.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.838 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.798 ' CZ2' HD23 ' A' ' 104' ' ' LEU . 54.1 m0 -73.06 -13.51 61.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.33 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 106.71 41.15 1.76 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.537 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 18.3 t -142.07 110.67 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.356 . . . . 0.0 111.072 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -91.16 108.33 19.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.9 mt -102.32 121.34 42.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.832 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -108.81 -38.94 5.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -106.06 140.53 21.34 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.86 153.64 19.34 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.389 2.059 . . . . 0.0 112.206 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.63 HG11 HD13 ' A' ' 121' ' ' LEU . 12.4 p -80.32 139.07 18.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.024 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 43.8 p -65.4 154.78 37.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.5 -39.1 81.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.949 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -60.07 -35.25 74.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.82 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -72.73 -46.12 55.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.63 HD13 HG11 ' A' ' 116' ' ' VAL . 3.8 tp -66.36 -43.53 85.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.48 -39.78 95.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.9 t -67.3 -34.97 78.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -69.54 -45.1 69.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.978 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 17.3 mt -67.03 -44.06 88.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.02 -48.21 80.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.21 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -66.81 -30.8 71.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . 0.466 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 1.6 t-105 -67.94 -50.98 52.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.768 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -73.85 -31.49 63.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.22 -31.06 67.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.101 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.72 -38.68 77.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 59.02 40.86 96.04 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.453 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -118.37 -167.72 1.41 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.879 0.371 . . . . 0.0 110.711 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.692 HG12 ' HB3' ' A' ' 88' ' ' MET . 3.5 t -144.28 142.09 24.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.466 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 0.2 OUTLIER -139.89 161.33 37.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.808 -179.907 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . 0.441 ' CD2' ' HG3' ' A' ' 88' ' ' MET . 28.3 m-70 -79.7 -178.02 6.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.767 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 56.6 p-80 -70.98 -39.24 72.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.73 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 28.3 t -66.82 -35.79 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.929 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.51 -38.75 77.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.799 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.717 ' CH2' HD13 ' A' ' 144' ' ' LEU . 22.2 t90 -63.61 -44.55 93.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.689 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.47 ' HB3' ' CZ2' ' A' ' 108' ' ' TRP . 3.9 pt20 -68.22 -42.7 79.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.996 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -66.38 -51.75 53.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.028 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.84 -54.14 49.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.267 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.717 HD13 ' CH2' ' A' ' 140' ' ' TRP . 0.2 OUTLIER -59.61 -49.65 76.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.137 -179.834 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -58.59 -60.05 4.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.286 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.414 ' O ' HG12 ' A' ' 150' ' ' ILE . 5.6 mtm-85 -57.71 -31.75 66.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.719 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.3 m -59.36 -51.05 71.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.751 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 12.1 mt -63.27 -35.14 79.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.481 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.85 -57.85 6.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.835 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.414 HG12 ' O ' ' A' ' 146' ' ' ARG . 17.9 mm -69.39 -20.7 24.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.329 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -69.4 -52.33 22.32 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.547 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -31.32 72.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.799 0.333 . . . . 0.0 110.887 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -65.84 -45.85 80.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.17 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 45.4 p -63.04 -36.84 84.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -146.45 130.86 17.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -172.68 56.12 0.16 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.548 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -125.44 -121.11 2.5 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.425 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.404 ' CB ' ' HD3' ' A' ' 159' ' ' PRO . 0.1 OUTLIER 178.82 -52.4 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 120.525 0.202 . . . . 0.0 111.089 179.847 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . 0.404 ' HD3' ' CB ' ' A' ' 158' ' ' LEU . 31.3 Cg_exo -59.26 86.67 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.43 2.086 . . . . 0.0 112.252 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.85 95.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -128.48 100.35 5.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -137.87 118.45 13.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . 0.444 HG23 ' N ' ' A' ' 164' ' ' ASN . 11.4 m -135.56 -47.29 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.141 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . 0.444 ' N ' HG23 ' A' ' 163' ' ' VAL . 15.1 m-20 -98.27 166.16 11.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.866 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.71 32.97 18.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 21.4 t -112.75 -36.5 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.206 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 25.7 p -171.76 169.84 5.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.58 72.78 20.38 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.0 127.78 26.36 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.549 2.166 . . . . 0.0 112.302 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -143.85 96.69 2.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 19.9 m -124.76 127.42 47.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 60.39 170.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 32.4 mt -131.64 84.88 53.76 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.71 122.58 8.99 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.584 2.189 . . . . 0.0 112.228 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -68.43 -176.94 1.26 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.407 2.071 . . . . 0.0 112.28 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . -59.67 177.83 2.64 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.466 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -82.65 143.23 31.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.869 0.366 . . . . 0.0 110.905 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -87.6 100.59 12.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.364 -1.242 . . . . 0.0 112.534 179.94 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.506 ' HB3' HG12 ' A' ' 134' ' ' VAL . 36.3 mtm . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 120.784 0.326 . . . . 0.0 111.261 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -159.39 102.14 1.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.459 ' HB2' HG13 ' A' ' 134' ' ' VAL . . . -81.07 -179.93 7.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.075 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 4.2 ptp -163.68 -157.27 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.705 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.45 ' O ' ' HD1' ' A' ' 95' ' ' TRP . 4.1 p90 -118.01 156.76 49.91 Favored Pre-proline 0 C--N 1.331 -0.237 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 179.599 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -79.75 18.18 1.17 Allowed 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.545 2.163 . . . . 0.0 113.361 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -113.18 22.77 13.98 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.551 0.204 . . . . 0.0 111.551 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.45 ' HD1' ' O ' ' A' ' 92' ' ' TYR . 66.7 p-90 -74.65 116.74 15.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.853 0.358 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -136.62 92.16 15.22 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -82.91 173.39 10.25 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.792 2.328 . . . . 0.0 112.501 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -131.29 -79.8 0.52 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.712 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -88.21 -34.06 17.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.095 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -59.18 -35.43 73.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.981 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -59.94 -57.13 14.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 33.8 mm -65.23 -30.42 50.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.021 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -49.38 62.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 14.0 mt -67.65 -43.15 80.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.57 87.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.042 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.13 -42.23 99.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 20.7 tp -81.45 -28.82 34.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.725 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.442 ' CD2' ' HB2' ' A' ' 141' ' ' GLN . 28.3 m0 -68.1 -13.36 62.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.373 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 108.97 38.16 1.9 Allowed Glycine 0 C--N 1.332 0.326 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.559 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.536 HG12 ' HG ' ' A' ' 112' ' ' LEU . 21.9 t -140.89 110.68 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.817 0.341 . . . . 0.0 111.079 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -91.5 99.63 12.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.088 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.536 ' HG ' HG12 ' A' ' 110' ' ' VAL . 66.5 mt -120.68 148.02 44.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -118.89 -45.44 2.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -84.7 148.92 52.84 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.58 172.65 0.16 Allowed 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.609 2.206 . . . . 0.0 112.306 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.503 HG11 HD21 ' A' ' 121' ' ' LEU . 11.6 p -91.52 131.99 37.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 37.1 p -65.31 154.48 38.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.6 t -67.01 -30.51 70.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.949 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -58.23 -35.02 71.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.928 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -74.14 -48.29 30.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.503 HD21 HG11 ' A' ' 116' ' ' VAL . 3.7 mm? -64.36 -40.18 95.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.51 ' O ' ' HB2' ' A' ' 126' ' ' ALA . . . -69.71 -38.56 76.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.8 m -68.89 -47.2 66.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -61.24 -53.76 52.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 39.7 mt -64.3 -30.7 50.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.987 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' A' ' 122' ' ' ALA . . . -62.8 -56.13 20.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.034 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -67.88 -31.44 71.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.779 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . 0.461 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 8.7 t-105 -63.66 -47.59 80.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.718 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -30.92 61.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.83 -33.11 62.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -67.44 -47.44 70.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 66.77 39.47 93.59 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.498 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.54 -164.91 1.31 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.761 0.315 . . . . 0.0 110.755 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.506 HG12 ' HB3' ' A' ' 88' ' ' MET . 12.2 t -131.71 142.08 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.142 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.461 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 8.0 m-85 -129.38 150.56 50.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . 0.412 ' CG ' ' HA ' ' A' ' 88' ' ' MET . 0.3 OUTLIER -79.1 164.91 23.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.896 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -65.12 -39.9 93.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 21.8 t -67.82 -43.25 86.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.079 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -62.19 -37.4 85.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.464 ' CZ3' HD13 ' A' ' 144' ' ' LEU . 5.3 t90 -64.96 -50.6 65.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.943 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.442 ' HB2' ' CD2' ' A' ' 108' ' ' TRP . 4.0 pt20 -66.67 -34.73 78.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.005 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -73.23 -36.58 66.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -75.41 -50.18 16.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.07 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.464 HD13 ' CZ3' ' A' ' 140' ' ' TRP . 0.2 OUTLIER -59.02 -54.24 49.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.04 -179.892 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 0.481 ' HA ' HG21 ' A' ' 110' ' ' VAL . . . -60.43 -54.32 47.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.213 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -58.96 -31.92 69.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.033 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 45.5 t -67.03 -51.74 51.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.93 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 6.9 mt -60.73 -30.72 70.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.926 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -67.43 -54.21 22.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 30.2 mm -69.24 -19.9 23.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.361 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -78.47 -44.36 11.11 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.56 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 5.6 tpt85 -70.06 -35.46 74.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.778 0.323 . . . . 0.0 110.964 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -65.02 -31.44 72.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.075 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 54.4 m -82.67 -31.96 28.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 61.21 113.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -79.0 -128.94 0.58 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.508 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -179.45 96.1 0.1 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.529 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 158' ' ' LEU . 2.6 mm? -117.02 100.64 53.43 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 120.644 0.259 . . . . 0.0 110.808 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -49.81 108.84 0.23 Allowed 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.556 2.171 . . . . 0.0 112.406 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 4.3 mtpt -133.38 -45.7 0.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 4.2 mtt-85 -159.9 107.56 1.68 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -111.74 116.58 30.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 15.3 m -139.97 31.31 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.17 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 32.2 m120 63.31 141.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.17 61.34 1.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 21.5 t -145.68 -49.77 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.062 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 1.6 m -107.45 33.11 4.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -134.79 80.43 49.55 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.06 63.14 2.55 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.557 2.171 . . . . 0.0 112.292 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -156.12 153.17 28.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.56 91.22 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -75.12 146.74 41.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 3.7 mp -108.68 98.35 28.35 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.136 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -52.63 168.97 0.38 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.481 2.121 . . . . 0.0 112.208 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.77 127.54 13.93 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.522 2.148 . . . . 0.0 112.37 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . -83.86 58.28 5.02 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -170.41 34.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.757 0.313 . . . . 0.0 110.931 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -156.46 -60.67 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.089 0 CA-C-O 118.403 -1.22 . . . . 0.0 112.561 179.938 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.687 ' HB3' HG12 ' A' ' 134' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.702 0.287 . . . . 0.0 111.183 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -165.64 101.88 0.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.056 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.831 ' HB2' HG13 ' A' ' 134' ' ' VAL . . . -104.26 -179.9 4.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 16.3 ptp -167.58 -165.43 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.712 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -104.8 160.54 25.65 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.518 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -85.69 35.79 0.51 Allowed 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.72 2.28 . . . . 0.0 112.994 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.32 22.26 14.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.563 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.451 ' CZ2' HG12 ' A' ' 125' ' ' ILE . 14.8 p-90 -85.87 135.5 33.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.899 0.38 . . . . 0.0 110.93 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.71 108.74 62.42 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.909 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.81 ' CG ' HD21 ' A' ' 121' ' ' LEU . 98.8 Cg_endo -79.8 155.26 23.6 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.452 2.101 . . . . 0.0 112.324 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -172.76 -76.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.826 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -88.11 -50.2 6.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.055 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -61.14 -28.73 69.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.035 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -63.21 -52.03 63.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.955 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.9 mt -73.8 -30.12 27.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.157 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.82 -45.19 62.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.59 HD13 ' CZ2' ' A' ' 108' ' ' TRP . 15.9 mt -71.79 -44.66 63.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.922 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.31 -42.73 96.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.275 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.55 -37.91 89.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.222 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 19.1 tp -81.44 -28.11 34.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.782 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.59 ' CZ2' HD13 ' A' ' 104' ' ' LEU . 46.2 m0 -75.87 -13.36 60.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.34 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 110.5 37.17 1.8 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.67 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.8 t -143.34 110.64 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.869 0.366 . . . . 0.0 111.051 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -90.92 119.3 31.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.232 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.5 mt -123.42 108.64 12.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.785 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.55 -47.04 7.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.833 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.56 166.58 41.71 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.43 155.69 68.89 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.548 2.165 . . . . 0.0 112.264 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 21.4 t -88.79 148.72 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.9 p -89.56 151.71 21.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.843 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.1 m -72.11 -30.71 65.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.984 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -59.41 -37.0 76.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -72.22 -40.6 67.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.931 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.81 HD21 ' CG ' ' A' ' 97' ' ' PRO . 1.8 tp -68.68 -53.5 21.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.18 -37.67 77.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 93.7 p -61.53 -49.86 75.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -61.98 -44.84 95.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.451 HG12 ' CZ2' ' A' ' 95' ' ' TRP . 15.6 mt -62.6 -45.92 97.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.169 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.9 -44.37 97.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.092 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.44 -35.99 78.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.846 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . 0.515 ' CZ3' ' CZ ' ' A' ' 135' ' ' PHE . 1.8 t-105 -62.48 -40.86 98.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.742 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -70.4 -40.17 74.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.001 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -73.7 -19.32 60.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.465 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -59.2 -49.67 76.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.97 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 60.98 40.79 98.96 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.648 -0.786 . . . . 0.0 112.451 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 5.0 tttm -150.34 142.89 24.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.724 0.297 . . . . 0.0 110.758 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.831 HG13 ' HB2' ' A' ' 90' ' ' ALA . 20.3 t -103.61 141.74 18.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.29 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.515 ' CZ ' ' CZ3' ' A' ' 128' ' ' TRP . 0.1 OUTLIER -143.13 162.3 35.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.703 179.708 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -63.67 178.78 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.917 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -71.35 -38.84 71.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.931 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 26.2 t -58.2 -34.26 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -66.45 -43.86 84.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.452 ' CH2' ' CD1' ' A' ' 144' ' ' LEU . 1.1 t90 -66.12 -29.36 69.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.875 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.447 ' HG3' ' CG ' ' A' ' 108' ' ' TRP . 12.5 tt0 -71.3 -53.92 12.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.971 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -63.89 -37.47 87.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.061 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -65.23 -54.23 32.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.044 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.452 ' CD1' ' CH2' ' A' ' 140' ' ' TRP . 0.8 OUTLIER -62.73 -39.57 94.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.052 -179.878 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -68.94 -49.77 55.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.156 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -63.34 -30.85 71.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.004 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 56.1 p -71.44 -40.18 70.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.002 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 94.8 mt -77.14 -43.52 33.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.998 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -63.27 -51.98 63.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.995 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 18.0 mt -79.72 -19.55 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.466 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -81.11 -34.71 25.96 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.553 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -68.61 -30.75 69.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.792 0.329 . . . . 0.0 110.961 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -63.18 -29.2 70.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.206 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 53.7 p -59.49 -39.26 83.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.036 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -59.01 135.44 57.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.977 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 137.17 144.3 4.74 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.542 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 74.85 49.77 9.8 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.597 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.416 ' CB ' ' CD ' ' A' ' 159' ' ' PRO . 0.2 OUTLIER -79.47 -62.5 0.42 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.508 0.194 . . . . 0.0 111.19 -179.846 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . 0.416 ' CD ' ' CB ' ' A' ' 158' ' ' LEU . 50.8 Cg_endo -69.61 118.55 5.75 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.413 2.075 . . . . 0.0 112.378 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.0 -33.83 6.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -131.05 17.7 5.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -137.95 87.62 2.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.776 0.322 . . . . 0.0 110.908 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . 0.502 ' O ' HG13 ' A' ' 163' ' ' VAL . 11.0 p -149.93 56.79 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.105 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 58.79 87.66 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.943 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 2.3 m 60.2 161.27 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.818 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 21.5 t -137.08 139.01 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.128 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.83 132.54 13.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -103.4 104.0 38.76 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -50.31 168.23 0.2 Allowed 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.45 2.1 . . . . 0.0 112.406 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -71.37 132.43 44.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 4.5 t -95.65 46.25 1.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -127.87 124.21 36.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 68.9 mt 50.34 82.3 0.24 Allowed Pre-proline 0 C--N 1.332 -0.177 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.359 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.99 135.92 26.28 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.619 2.212 . . . . 0.0 112.254 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -73.37 137.46 25.72 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.458 2.105 . . . . 0.0 112.293 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . -127.87 124.95 5.0 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.472 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -126.64 104.76 8.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.818 0.342 . . . . 0.0 110.852 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 61.1 155.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.425 -1.208 . . . . 0.0 112.52 -179.977 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.428 ' HB3' HG12 ' A' ' 134' ' ' VAL . 4.0 mtt . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.827 0.346 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -156.49 98.15 1.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.443 ' HB2' HG13 ' A' ' 134' ' ' VAL . . . -78.9 -179.8 6.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.017 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 6.8 mtm -162.73 -170.9 2.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.922 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -123.24 163.17 35.52 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.261 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -85.38 22.04 1.0 Allowed 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.664 2.243 . . . . 0.0 113.128 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.25 27.27 9.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.597 0.237 . . . . 0.0 111.432 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.403 ' CE3' ' HD3' ' A' ' 97' ' ' PRO . 44.9 p-90 -76.42 124.49 27.63 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.871 0.367 . . . . 0.0 110.795 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -97.33 105.21 23.71 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.403 ' HD3' ' CE3' ' A' ' 95' ' ' TRP . 62.4 Cg_endo -72.86 144.97 39.71 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.453 2.102 . . . . 0.0 112.385 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -178.12 -77.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.886 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -88.15 -50.84 6.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.889 0.376 . . . . 0.0 111.272 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.84 -31.15 62.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.198 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.623 ' CE1' HD11 ' A' ' 112' ' ' LEU . 1.6 t80 -62.47 -46.92 86.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.042 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 38.9 mt -74.56 -39.74 47.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -53.71 50.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.693 HD22 ' CZ2' ' A' ' 108' ' ' TRP . 19.9 mt -65.72 -45.06 84.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.97 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.43 ' HB1' ' HB ' ' A' ' 110' ' ' VAL . . . -60.85 -43.85 97.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.08 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.04 -36.01 76.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 17.5 tp -81.35 -35.02 31.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.778 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.693 ' CZ2' HD22 ' A' ' 104' ' ' LEU . 54.9 m0 -73.99 -13.44 60.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.401 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 92.23 39.59 5.36 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.456 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.43 ' HB ' ' HB1' ' A' ' 105' ' ' ALA . 25.5 t -127.7 120.8 55.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.34 . . . . 0.0 111.054 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -108.71 105.74 15.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.623 HD11 ' CE1' ' A' ' 101' ' ' PHE . 1.7 mt -88.92 141.49 28.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.77 -48.49 2.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -108.02 165.49 12.65 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.793 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -68.22 152.7 75.81 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.59 2.193 . . . . 0.0 112.239 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.629 HG23 ' OE1' ' A' ' 120' ' ' GLU . 11.0 p -73.81 135.57 27.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.038 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 70.1 p -67.1 151.43 47.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 19.1 p -62.47 -37.86 87.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.01 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -60.42 -40.81 92.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.629 ' OE1' HG23 ' A' ' 116' ' ' VAL . 0.3 OUTLIER -64.48 -48.6 74.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.9 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 121' ' ' LEU . 2.2 tp -68.48 -48.84 63.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.37 -31.8 69.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.254 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.6 m -74.93 -41.94 58.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.909 ' CZ ' HD12 ' A' ' 144' ' ' LEU . 1.1 t80 -66.84 -47.86 70.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.816 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 52.7 mt -66.88 -40.72 86.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.057 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.08 -55.46 34.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.197 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -66.4 -31.1 71.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.896 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . 0.498 ' CZ3' ' CE2' ' A' ' 135' ' ' PHE . 5.2 t-105 -72.19 -31.95 66.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.915 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.54 -39.65 45.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -75.32 -30.55 60.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.1 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.06 -49.94 75.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 56.82 36.95 74.93 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.555 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -113.74 -164.42 0.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.725 0.298 . . . . 0.0 110.835 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.443 HG13 ' HB2' ' A' ' 90' ' ' ALA . 10.9 t -139.93 142.05 32.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.027 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.498 ' CE2' ' CZ3' ' A' ' 128' ' ' TRP . 0.8 OUTLIER -137.13 171.16 14.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.785 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . 0.409 ' CD2' ' HA ' ' A' ' 88' ' ' MET . 3.9 m-70 -92.29 177.87 6.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.774 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 21.5 p80 -69.18 -34.22 74.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.932 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.3 -41.52 83.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -67.8 -32.5 73.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.031 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.427 ' CZ3' HD22 ' A' ' 144' ' ' LEU . 9.2 t90 -69.97 -42.37 73.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.447 ' HB3' ' CZ2' ' A' ' 108' ' ' TRP . 8.6 pt20 -73.68 -35.44 65.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.065 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -71.6 -39.47 70.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.162 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -70.37 -54.31 13.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.149 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.909 HD12 ' CZ ' ' A' ' 124' ' ' PHE . 0.2 OUTLIER -59.75 -56.03 26.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.12 -179.775 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 0.434 ' HA ' HD12 ' A' ' 148' ' ' LEU . . . -55.93 -55.03 37.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.39 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.18 -31.29 68.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.114 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 24.3 m -73.33 -44.94 57.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.895 0.379 . . . . 0.0 111.058 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 145' ' ' ALA . 9.4 mt -59.72 -39.39 84.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.021 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -68.5 -57.85 5.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 31.6 mm -62.6 -18.99 21.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.313 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -78.36 -46.48 8.95 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.509 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 -77.24 -29.96 54.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.81 0.338 . . . . 0.0 111.09 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -68.75 -41.44 78.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.261 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 80.7 p -92.72 -41.83 9.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.997 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -109.29 154.56 22.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -167.94 -49.31 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.564 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 90.87 132.04 5.15 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.461 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.513 HD23 ' HB2' ' A' ' 162' ' ' ASP . 3.3 mp -105.86 118.85 54.18 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 120.506 0.193 . . . . 0.0 110.771 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.87 86.01 0.75 Allowed 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.369 2.046 . . . . 0.0 112.288 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 28.8 mttp 60.32 68.6 0.75 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 51.6 mtt180 59.82 176.32 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' ASP . . . . . 0.513 ' HB2' HD23 ' A' ' 158' ' ' LEU . 4.1 t70 -119.75 140.35 50.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . 0.838 HG22 HG22 ' A' ' 165' ' ' THR . 12.8 p -100.88 140.09 20.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.073 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -76.8 72.1 3.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.047 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' THR . . . . . 0.838 HG22 HG22 ' A' ' 163' ' ' VAL . 3.6 t -178.85 42.32 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.939 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 20.3 t -139.06 143.88 30.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 14.1 m -170.9 97.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.801 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' GLU . . . . . 0.42 ' CB ' ' HD3' ' A' ' 169' ' ' PRO . 1.2 tm-20 -89.28 -55.18 0.3 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.033 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' PRO . . . . . 0.42 ' HD3' ' CB ' ' A' ' 168' ' ' GLU . 83.1 Cg_endo -87.83 21.28 1.05 Allowed 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.792 2.328 . . . . 0.0 112.899 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.08 136.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.92 0.391 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 91.8 p -88.87 140.77 29.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.82 148.95 41.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 7.6 mt -119.26 108.94 39.42 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.97 134.82 26.23 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.439 2.092 . . . . 0.0 112.272 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -73.31 101.32 1.34 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.476 2.118 . . . . 0.0 112.284 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . -157.42 -119.5 0.59 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.526 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -123.69 166.47 15.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.912 0.387 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -103.9 -58.7 1.84 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.089 0 CA-C-O 118.408 -1.218 . . . . 0.0 112.508 179.98 . . . . . . . . 0 0 . 1 stop_ save_